[email protected]
CAS 855255-82-2 3-BROMO-4′-METHYLBIPHENYL molecular structure lightbox
CAS RN: 855255-82-2

3-BROMO-4′-METHYLBIPHENYL

  • Product code: SSC-193957
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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 855255-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

855255-82-2 / 1-bromo-3-(4-methylphenyl)benzene

Standard CAS: 855255-82-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
855255-82-2
Multi CAS
Yes
Molecular Formula
C13H11BR
Molecular Weight
247.130000
Exact Mass
246.004410
InChI
InChI=1S/C13H11Br/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h2-9H,1H3
InChIKey
ZAZDXCNAQVUYEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
Molar refractivity
64.32
TPSA
0.0000

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.6
Consensus LogP
4.31
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-1.09

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us