CAS RN: 955328-22-0
4-Amino-8-chloroquinoline-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250820 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS955328-22-0
- Purity/Analytical Methods: >99.0%
955328-22-0 / 4-amino-8-chloroquinoline-3-carboxylic acid
Basic Information
CAS
955328-22-0
Multi CAS
No
Molecular Formula
C10H7CLN2O2
Molecular Weight
222.630000
Exact Mass
222.019605
InChI
InChI=1S/C10H7ClN2O2/c11-7-3-1-2-5-8(12)6(10(14)15)4-13-9(5)7/h1-4H,(H2,12,13)(H,14,15)
InChIKey
DMQKTDVVSMSBCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.12
TPSA
76.21
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-allyl-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one
- CAS RN: 955368-90-8
- Product Code: SSC-210974
-
2-isopropyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
- CAS RN: 955368-93-1
- Product Code: SSC-210975
-
-
2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one
- CAS RN: 955369-56-9
- Product Code: SSC-210979
-
2-PYRIDINEETHANOL, 6-BROMO-A,A-DIMETHYL-
- CAS RN: 955369-59-2
- Product Code: starshine_CAS955369-59-2
- Purity/Analytical method: >99.0%
![CAS 955368-90-8 2-allyl-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955368-90-8.gif)
![CAS 955368-93-1 2-isopropyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955368-93-1.gif)
![CAS 955369-56-9 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955369-56-9.gif)
