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CAS 1017403-67-6 2-CHLORO-6-FLUOROQUINOLINE-3-METHANOL molecular structure lightbox
CAS RN: 1017403-67-6

2-CHLORO-6-FLUOROQUINOLINE-3-METHANOL

  • Product code: SSC-002702
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1017403-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1017403-67-6 / (2-chloro-6-fluoroquinolin-3-yl)methanol

(2-chloro-6-fluoroquinolin-3-yl)methanol | 2-Chloro-6-fluoroquinoline-3-methanol | MFCD09998015

Standard CAS: 1017403-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017403-67-6
Multi CAS
No
Molecular Formula
C10H7ClFNO
Molecular Weight
211.620000
Exact Mass
211.020020
SMILES
C1=CC2=NC(=C(C=C2C=C1F)CO)Cl
InChI
InChI=1S/C10H7ClFNO/c11-10-7(5-14)3-6-4-8(12)1-2-9(6)13-10/h1-4,14H,5H2
InChIKey
CHLWQCOYLXZRAE-UHFFFAOYSA-N
Synonyms
(2-chloro-6-fluoroquinolin-3-yl)methanol 2-Chloro-6-fluoroquinoline-3-methanol MFCD09998015 3-Quinolinemethanol, 2-chloro-6-fluoro- SCHEMBL1879421

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.63
TPSA
33.12

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.22

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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