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CAS 39741-46-3 3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 39741-46-3

3-BROMO-5-(CHLOROMETHYL)PYRIDINE HYDROCHLORIDE

  • Product code: SSC-147477
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39741-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g -- 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry

39741-46-3 / 3-bromo-5-(chloromethyl)pyridine;hydrochloride

Standard CAS: 39741-46-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39741-46-3
Multi CAS
Yes
Molecular Formula
C6H6BRCL2N
Molecular Weight
242.930000
Exact Mass
240.906070
InChI
InChI=1S/C6H5BrClN.ClH/c7-6-1-5(2-8)3-9-4-6;/h1,3-4H,2H2;1H
InChIKey
CJAUTVHMRSAZGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.74
TPSA
12.89

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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