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CAS 39232-85-4 5-Bromo-2-chloropyridine molecular structure lightbox
CAS RN: 39232-85-4

5-Bromo-2-chloropyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS39232-85-4
  • Purity/Analytical Methods: >99.0%
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39232-85-4 / 2-(7-methyl-1H-indol-3-yl)ethanol

Standard CAS: 39232-85-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39232-85-4
Multi CAS
Yes
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
InChI
InChI=1S/C11H13NO/c1-8-3-2-4-10-9(5-6-13)7-12-11(8)10/h2-4,7,12-13H,5-6H2,1H3
InChIKey
KGZBKPDQVCRMSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
53.83
TPSA
36.02

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.36

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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