CAS RN: 847547-91-5
4-Quinolinecarboxylicacid,2-chloro-3-hydroxy-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251030 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS847547-91-5
- Purity/Analytical Methods: >99.0%
847547-91-5 / 2-chloro-3-hydroxyquinoline-4-carboxylic acid
Basic Information
CAS
847547-91-5
Multi CAS
No
Molecular Formula
C10H6CLNO3
Molecular Weight
223.610000
Exact Mass
223.003621
InChI
InChI=1S/C10H6ClNO3/c11-9-8(13)7(10(14)15)5-3-1-2-4-6(5)12-9/h1-4,13H,(H,14,15)
InChIKey
RPGQCGYSROBDNQ-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
55.38
TPSA
70.42
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.9
Consensus LogP
2.4
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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