[email protected]
CAS 31686-64-3 5-bromo-4-methyl-2-phenylPyridine molecular structure lightbox
CAS RN: 31686-64-3

5-bromo-4-methyl-2-phenylPyridine

  • Product code: SSC-137099
GET A QUOTE
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: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 31686-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
1g ≥97% 2 In Stock Hong Kong Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry

31686-64-3 / 5-bromo-4-methyl-2-phenylpyridine

Standard CAS: 31686-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31686-64-3
Multi CAS
No
Molecular Formula
BC12H10Rn
Molecular Weight
248.120000
Exact Mass
246.999660
InChI
InChI=1S/C12H10BrN/c1-9-7-12(14-8-11(9)13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
NUXIJRHGJXCNDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
62.11
TPSA
12.89

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us