[email protected]
CAS 190197-86-5 4-BroMo-3-(broMoMethyl)benzonitrile molecular structure lightbox
CAS RN: 190197-86-5

4-BroMo-3-(broMoMethyl)benzonitrile

  • Product code: SSC-089048
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: >95%
  • Inventory rows with stock: 2
  • 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 190197-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

190197-86-5 / 4-bromo-3-(bromomethyl)benzonitrile

Standard CAS: 190197-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190197-86-5
Multi CAS
No
Molecular Formula
C8H5Br2N
Molecular Weight
274.940000
Exact Mass
274.876820
SMILES
C1=CC(=C(C=C1C#N)CBr)Br
InChI
InChI=1S/C8H5Br2N/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2
InChIKey
AEXYSQSKOJJWLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.49
TPSA
23.79

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us