Home Cart 0 Sign in  
X

[ CAS No. 926307-99-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 926307-99-5
Chemical Structure| 926307-99-5
Chemical Structure| 926307-99-5
Structure of 926307-99-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 926307-99-5 ]

Related Doc. of [ 926307-99-5 ]

Alternatived Products of [ 926307-99-5 ]

Product Details of [ 926307-99-5 ]

CAS No. :926307-99-5 MDL No. :MFCD13177813
Formula : C9H7NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :UMYUTSDBBFORJI-UHFFFAOYSA-N
M.W : 161.16 Pubchem ID :70700910
Synonyms :

Calculated chemistry of [ 926307-99-5 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.11
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.79
TPSA : 46.17 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.12 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.1
Log Po/w (XLOGP3) : 0.23
Log Po/w (WLOGP) : 0.21
Log Po/w (MLOGP) : 0.49
Log Po/w (SILICOS-IT) : 1.98
Consensus Log Po/w : 0.8

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.29
Solubility : 8.3 mg/ml ; 0.0515 mol/l
Class : Very soluble
Log S (Ali) : -0.76
Solubility : 28.0 mg/ml ; 0.174 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.83
Solubility : 0.241 mg/ml ; 0.00149 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.22

Safety of [ 926307-99-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 926307-99-5 ]

Aldehydes

Chemical Structure| 13255-50-0

[ 13255-50-0 ]

4-Formyl-N-isopropylbenzamide

Similarity: 0.95

Chemical Structure| 2913-97-5

[ 2913-97-5 ]

N-(2-Oxoethyl)phthalimide

Similarity: 0.89

Chemical Structure| 2436-29-5

[ 2436-29-5 ]

3-(1,3-Dioxoisoindolin-2-yl)propanal

Similarity: 0.89

Chemical Structure| 126534-87-0

[ 126534-87-0 ]

3-Formylbenzamide

Similarity: 0.80

Chemical Structure| 122-85-0

[ 122-85-0 ]

N-(4-Formylphenyl)acetamide

Similarity: 0.68

Amides

Chemical Structure| 1250443-39-0

[ 1250443-39-0 ]

6-(Aminomethyl)isoindolin-1-one hydrochloride

Similarity: 0.98

Chemical Structure| 1422057-35-9

[ 1422057-35-9 ]

5-(Aminomethyl)isoindolin-1-one hydrochloride

Similarity: 0.98

Chemical Structure| 40314-06-5

[ 40314-06-5 ]

5-Methylisoindoline-1,3-dione

Similarity: 0.98

Chemical Structure| 1485-70-7

[ 1485-70-7 ]

N-Benzylbenzamide

Similarity: 0.98

Chemical Structure| 1074-82-4

[ 1074-82-4 ]

Potassium 1,3-dioxoisoindolin-2-ide

Similarity: 0.95

Related Parent Nucleus of
[ 926307-99-5 ]

Indolines

Chemical Structure| 1250443-39-0

[ 1250443-39-0 ]

6-(Aminomethyl)isoindolin-1-one hydrochloride

Similarity: 0.98

Chemical Structure| 1422057-35-9

[ 1422057-35-9 ]

5-(Aminomethyl)isoindolin-1-one hydrochloride

Similarity: 0.98

Chemical Structure| 40314-06-5

[ 40314-06-5 ]

5-Methylisoindoline-1,3-dione

Similarity: 0.98

Chemical Structure| 1074-82-4

[ 1074-82-4 ]

Potassium 1,3-dioxoisoindolin-2-ide

Similarity: 0.95

Chemical Structure| 5428-09-1

[ 5428-09-1 ]

2-Allylisoindoline-1,3-dione

Similarity: 0.91