CAS RN: 102878-83-1
3-chloroquinolin-8-ol
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.20251203 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS102878-83-1
- Purity/Analytical Methods: >99.0%
102878-83-1 / 3-chloroquinolin-8-ol
3-chloroquinolin-8-ol | 3-Chloro-8-quinolinol | MFCD16877648
Basic Information
CAS
102878-83-1
Multi CAS
No
Molecular Formula
C9H6ClNO
Molecular Weight
179.600000
Exact Mass
179.013792
SMILES
C1=CC2=CC(=CN=C2C(=C1)O)Cl
InChI
InChI=1S/C9H6ClNO/c10-7-4-6-2-1-3-8(12)9(6)11-5-7/h1-5,12H
InChIKey
JMXAPFATOSQMSP-UHFFFAOYSA-N
Synonyms
3-chloroquinolin-8-ol
3-Chloro-8-quinolinol
MFCD16877648
NSC673457
CHEMBL1976720
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.42
TPSA
33.12
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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