6-Chloro-2-phenylhexanenitrile
TL;DR: 6-Chloro-2-phenylhexanenitrile (CAS 2124-74-5) is a chemical compound with molecular formula C12H14ClN and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-phenylhexanenitrile
Also Known As: 6-chloro-2-phenylhexanenitrile, Benzeneacetonitrile, alpha-butyl-4-chloro-
| Molecular Formula | C12H14ClN |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08148 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 2124-74-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCCCCl)C#N |
| InChIKey | ROXAVEDEEPHYES-UHFFFAOYSA-N |
Product Overview
6-Chloro-2-phenylhexanenitrile (CAS 2124-74-5), with molecular formula C12H14ClN and molecular weight 207.08 g/mol. IUPAC: 6-chloro-2-phenylhexanenitrile.
Chemical Property Profile of 6-Chloro-2-phenylhexanenitrile
Property Insights of 6-Chloro-2-phenylhexanenitrile
The XLogP value of 3.3 indicates that 6-Chloro-2-phenylhexanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 6-Chloro-2-phenylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-phenylhexanenitrile 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 6-Chloro-2-phenylhexanenitrile?
The CAS number of 6-Chloro-2-phenylhexanenitrile is 2124-74-5.
What is the molecular formula of 6-Chloro-2-phenylhexanenitrile?
The molecular formula of 6-Chloro-2-phenylhexanenitrile is C12H14ClN.
What is the molecular weight of 6-Chloro-2-phenylhexanenitrile?
The molecular weight of 6-Chloro-2-phenylhexanenitrile is 207.08 g/mol.
Where can I buy 6-Chloro-2-phenylhexanenitrile?
You can request a quote for 6-Chloro-2-phenylhexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-phenylhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-phenylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.