3-(Bromomethyl)cyclohexanecarbonitrile
TL;DR: 3-(Bromomethyl)cyclohexanecarbonitrile (CAS 97762-32-8) is a chemical compound with molecular formula C8H12BrN and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(Bromomethyl)cyclohexanecarbonitrile
3-(bromomethyl)cyclohexane-1-carbonitrile
Also Known As: 3-(bromomethyl)cyclohexanecarbonitrile, 3-(bromomethyl)cyclohexane-1-carbonitrile
| Molecular Formula | C8H12BrN |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.0153 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 97762-32-8 |
|---|---|
| SMILES | C1CC(CC(C1)C#N)CBr |
| InChIKey | VDLVKZNINMRGFK-UHFFFAOYSA-N |
Product Overview
3-(Bromomethyl)cyclohexanecarbonitrile (CAS 97762-32-8), with molecular formula C8H12BrN and molecular weight 201.02 g/mol. IUPAC: 3-(bromomethyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 3-(Bromomethyl)cyclohexanecarbonitrile
Property Insights of 3-(Bromomethyl)cyclohexanecarbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bromomethyl)cyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 3-(Bromomethyl)cyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(溴甲基)环己烷甲腈 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(溴甲基)环己烷甲腈?
The CAS number of 3-(溴甲基)环己烷甲腈 is 97762-32-8.
What is the molecular formula of 3-(溴甲基)环己烷甲腈?
The molecular formula of 3-(溴甲基)环己烷甲腈 is C8H12BrN.
What is the molecular weight of 3-(溴甲基)环己烷甲腈?
The molecular weight of 3-(溴甲基)环己烷甲腈 is 201.02 g/mol.
Where can I buy 3-(溴甲基)环己烷甲腈?
You can request a quote for 3-(溴甲基)环己烷甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(溴甲基)环己烷甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(溴甲基)环己烷甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.