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CAS 1017403-71-2 7-BROMO-2-CHLOROQUINOLINE-3-METHANOL molecular structure lightbox
CAS RN: 1017403-71-2

7-BROMO-2-CHLOROQUINOLINE-3-METHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-002703
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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 1017403-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1017403-71-2 / (7-bromo-2-chloroquinolin-3-yl)methanol

(7-bromo-2-chloroquinolin-3-yl)methanol | DTXSID00640647 | RefChem:209840

Standard CAS: 1017403-71-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1017403-71-2
Multi CAS
No
Molecular Formula
C10H7BrClNO
Molecular Weight
272.520000
Exact Mass
270.939950
SMILES
C1=CC(=CC2=NC(=C(C=C21)CO)Cl)Br
InChI
InChI=1S/C10H7BrClNO/c11-8-2-1-6-3-7(5-14)10(12)13-9(6)4-8/h1-4,14H,5H2
InChIKey
OEPCFZZHNNREOQ-UHFFFAOYSA-N
Synonyms
(7-bromo-2-chloroquinolin-3-yl)methanol DTXSID00640647 RefChem:209840 DTXCID10591398 7-Bromo-2-chloroquinoline-3-methanol

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
60.38
TPSA
33.12

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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