Home Cart 0 Sign in  
X

[ CAS No. 1049729-31-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1049729-31-8
Chemical Structure| 1049729-31-8
Chemical Structure| 1049729-31-8
Structure of 1049729-31-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1049729-31-8 ]

Related Doc. of [ 1049729-31-8 ]

Alternatived Products of [ 1049729-31-8 ]

Product Details of [ 1049729-31-8 ]

CAS No. :1049729-31-8 MDL No. :MFCD07368676
Formula : C6H7BrClFN2 Boiling Point : -
Linear Structure Formula :- InChI Key :UBRQPOGSUUNCBF-UHFFFAOYSA-N
M.W : 241.49 Pubchem ID :2783128
Synonyms :

Calculated chemistry of [ 1049729-31-8 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 48.27
TPSA : 38.05 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.75
Log Po/w (WLOGP) : 2.91
Log Po/w (MLOGP) : 2.88
Log Po/w (SILICOS-IT) : 1.46
Consensus Log Po/w : 2.0

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.41
Solubility : 0.0945 mg/ml ; 0.000391 mol/l
Class : Soluble
Log S (Ali) : -3.2
Solubility : 0.151 mg/ml ; 0.000625 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.23
Solubility : 0.143 mg/ml ; 0.000593 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 1049729-31-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Similar Product of
[ 1049729-31-8 ]

Chemical Structure| 1049976-47-7

A1085879[ 1049976-47-7 ]

(2-Bromo-6-fluorophenyl)hydrazine

Reason: Free-salt

Related Functional Groups of
[ 1049729-31-8 ]

Fluorinated Building Blocks

Chemical Structure| 214916-08-2

[ 214916-08-2 ]

(5-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.93

Chemical Structure| 502496-24-4

[ 502496-24-4 ]

(4-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 60481-35-8

[ 60481-35-8 ]

(2-Bromo-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.81

Chemical Structure| 444-14-4

[ 444-14-4 ]

2-Bromo-4,6-difluoroaniline

Similarity: 0.81

Chemical Structure| 141474-37-5

[ 141474-37-5 ]

2,4-Dibromo-6-fluoroaniline

Similarity: 0.81

Aryls

Chemical Structure| 214916-08-2

[ 214916-08-2 ]

(5-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.93

Chemical Structure| 502496-24-4

[ 502496-24-4 ]

(4-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 60481-35-8

[ 60481-35-8 ]

(2-Bromo-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.81

Chemical Structure| 444-14-4

[ 444-14-4 ]

2-Bromo-4,6-difluoroaniline

Similarity: 0.81

Chemical Structure| 141474-37-5

[ 141474-37-5 ]

2,4-Dibromo-6-fluoroaniline

Similarity: 0.81

Bromides

Chemical Structure| 214916-08-2

[ 214916-08-2 ]

(5-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.93

Chemical Structure| 502496-24-4

[ 502496-24-4 ]

(4-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 60481-35-8

[ 60481-35-8 ]

(2-Bromo-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.81

Chemical Structure| 444-14-4

[ 444-14-4 ]

2-Bromo-4,6-difluoroaniline

Similarity: 0.81

Chemical Structure| 141474-37-5

[ 141474-37-5 ]

2,4-Dibromo-6-fluoroaniline

Similarity: 0.81

Amines

Chemical Structure| 214916-08-2

[ 214916-08-2 ]

(5-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.93

Chemical Structure| 502496-24-4

[ 502496-24-4 ]

(4-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 60481-35-8

[ 60481-35-8 ]

(2-Bromo-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.81

Chemical Structure| 444-14-4

[ 444-14-4 ]

2-Bromo-4,6-difluoroaniline

Similarity: 0.81

Chemical Structure| 141474-37-5

[ 141474-37-5 ]

2,4-Dibromo-6-fluoroaniline

Similarity: 0.81

Hydrazines

Chemical Structure| 214916-08-2

[ 214916-08-2 ]

(5-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.93

Chemical Structure| 502496-24-4

[ 502496-24-4 ]

(4-Bromo-2-fluorophenyl)hydrazine hydrochloride

Similarity: 0.91

Chemical Structure| 60481-35-8

[ 60481-35-8 ]

(2-Bromo-5-fluorophenyl)hydrazine hydrochloride

Similarity: 0.81

Chemical Structure| 50709-33-6

[ 50709-33-6 ]

2-Bromophenylhydrazine hydrochloride

Similarity: 0.75

Chemical Structure| 2924-15-4

[ 2924-15-4 ]

(2-Fluorophenyl)hydrazine hydrochloride

Similarity: 0.73