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CAS 333408-31-4 (2-CHLORO-8-METHYLQUINOLIN-3-YL)METHANOL molecular structure lightbox
CAS RN: 333408-31-4

(2-CHLORO-8-METHYLQUINOLIN-3-YL)METHANOL

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260222 100mg In stock Inquiry
Batchno.20250403 1g In stock Inquiry
Batchno.20250430 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS333408-31-4
  • Purity/Analytical Methods: >99.0%
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333408-31-4 / (2-chloro-8-methylquinolin-3-yl)methanol

Standard CAS: 333408-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
333408-31-4
Multi CAS
No
Molecular Formula
C11H10CLNO
Molecular Weight
207.650000
Exact Mass
207.045092
InChI
InChI=1S/C11H10ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-5,14H,6H2,1H3
InChIKey
GQLHTRIZUUCKGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.41
TPSA
33.12

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.08

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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