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CAS 1956369-83-7 4-BroMo-2-(hydroxyMethyl)-5-Methylpyridine HydrobroMide molecular structure lightbox
CAS RN: 1956369-83-7

4-BroMo-2-(hydroxyMethyl)-5-Methylpyridine HydrobroMide

  • Product code: SSC-092473
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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: 1g, 0.25g, 0.1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1956369-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1956369-83-7 / (4-bromo-5-methyl-2-pyridinyl)methanol;hydrobromide

Standard CAS: 1956369-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956369-83-7
Multi CAS
No
Molecular Formula
C7H9Br2NO
Molecular Weight
282.960000
Exact Mass
282.903040
SMILES
CC1=C(C=C(N=C1)CO)Br.Br
InChI
InChI=1S/C7H8BrNO.BrH/c1-5-3-9-6(4-10)2-7(5)8;/h2-3,10H,4H2,1H3;1H
InChIKey
RYMLVZFLCNVLPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.92
TPSA
33.12

LogP / Solubility

WLOGP
2.22
MLOGP
1.97
XLogP3
2.22
Consensus LogP
2.14
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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