Home Cart 0 Sign in  

[ CAS No. 1356400-75-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1356400-75-3
Chemical Structure| 1356400-75-3
Structure of 1356400-75-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1356400-75-3 ]

Related Doc. of [ 1356400-75-3 ]

Alternatived Products of [ 1356400-75-3 ]

Product Details of [ 1356400-75-3 ]

CAS No. :1356400-75-3 MDL No. :MFCD27993661
Formula : C14H19BN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WRRYHEOTBYJHQQ-UHFFFAOYSA-N
M.W : 258.12 Pubchem ID :76849494
Synonyms :

Calculated chemistry of [ 1356400-75-3 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 76.63
TPSA : 35.76 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.15
Log Po/w (WLOGP) : 1.94
Log Po/w (MLOGP) : 1.05
Log Po/w (SILICOS-IT) : 1.28
Consensus Log Po/w : 1.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.71
Solubility : 0.0504 mg/ml ; 0.000195 mol/l
Class : Soluble
Log S (Ali) : -3.57
Solubility : 0.0693 mg/ml ; 0.000269 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.08
Solubility : 0.0217 mg/ml ; 0.0000839 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.05

Safety of [ 1356400-75-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1356400-75-3 ]

Organoboron

Chemical Structure| 1989745-33-6

[ 1989745-33-6 ]

6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE

Similarity: 0.94

Chemical Structure| 1356400-67-3

[ 1356400-67-3 ]

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

Similarity: 0.93

Chemical Structure| 1204742-76-6

[ 1204742-76-6 ]

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.88

Chemical Structure| 1353387-21-9

[ 1353387-21-9 ]

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.87

Chemical Structure| 1111638-03-9

[ 1111638-03-9 ]

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Similarity: 0.86

Esters

Chemical Structure| 1989745-33-6

[ 1989745-33-6 ]

6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE

Similarity: 0.94

Chemical Structure| 1356400-67-3

[ 1356400-67-3 ]

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

Similarity: 0.93

Chemical Structure| 1204742-76-6

[ 1204742-76-6 ]

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.88

Chemical Structure| 1353387-21-9

[ 1353387-21-9 ]

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.87

Chemical Structure|

[ ]

7-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

Similarity: 0.86

Related Parent Nucleus of
[ 1356400-75-3 ]

Other Aromatic Heterocycles

Chemical Structure| 1356400-67-3

[ 1356400-67-3 ]

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

Similarity: 0.93

Chemical Structure| 1204742-76-6

[ 1204742-76-6 ]

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.88

Chemical Structure| 1353387-21-9

[ 1353387-21-9 ]

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.87

Chemical Structure| 1111638-03-9

[ 1111638-03-9 ]

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Similarity: 0.86

Chemical Structure| 908268-52-0

[ 908268-52-0 ]

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

Similarity: 0.83