CAS RN: 151057-13-5
L-701,252
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251106 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS151057-13-5
- Purity/Analytical Methods: >99.0%
151057-13-5 / 7-chloro-3-(cyclopropanecarbonyl)-4-hydroxy-1H-quinolin-2-one
Basic Information
CAS
151057-13-5
Multi CAS
No
Molecular Formula
C13H10ClNO3
Molecular Weight
263.670000
Exact Mass
263.034921
SMILES
C1CC1C(=O)C2=C(C3=C(C=C(C=C3)Cl)NC2=O)O
InChI
InChI=1S/C13H10ClNO3/c14-7-3-4-8-9(5-7)15-13(18)10(12(8)17)11(16)6-1-2-6/h3-6H,1-2H2,(H2,15,17,18)
InChIKey
MXEFWCFPCLDOOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.3
TPSA
70.16
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.2
Consensus LogP
2.29
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (4-nitrophenyl)methyl ester, (1S,4S)-
- CAS RN: 151072-00-3
- Product Code: starshine_CAS151072-00-3
- Purity/Analytical method: >99.0%
-
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-CYCLOHEXENE-1-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 151075-20-6
- Product Code: SSC-060945
-
2(1H)-Pyrimidinone, 4-amino-5-(1-propynyl)- (9CI)
- CAS RN: 151091-68-8
- Product Code: starshine_CAS151091-68-8
- Purity/Analytical method: >99.0%
-
4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
- CAS RN: 151096-96-7
- Product Code: SSC-060969
![CAS 151072-00-3 2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (4-nitrophenyl)methyl ester, (1S,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/151072-00-3.gif)
![CAS 151096-96-7 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/151096-96-7.gif)