4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile
TL;DR: 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile (CAS 75336-29-7) is a chemical compound with molecular formula C16H14ClN and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-phenylbutanenitrile
Also Known As: 3-(4-chlorophenyl)-2-phenylbutanenitrile, 3-(4-chlorophenyl)-2-phenyl-butanenitrile, 4-CHLORO-BETA-METHYL-ALPHA-PHENYLHYDROCINNAMONITRILE, 662-831-0, RefChem:521747
| Molecular Formula | C16H14ClN |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 4.75088 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08148 |
| Heavy Atoms | 18 |
| Complexity | 539.5597 |
Chemical Identifiers
| CAS Number | 75336-29-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)Cl)C(C#N)C2=CC=CC=C2 |
Product Overview
4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile (CAS 75336-29-7), with molecular formula C16H14ClN and molecular weight 255.08 g/mol. IUPAC: 3-(4-chlorophenyl)-2-phenylbutanenitrile.
Chemical Property Profile of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile
Property Insights of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile
The XLogP value of 4.75088 indicates that 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile 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 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile?
The CAS number of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile is 75336-29-7.
What is the molecular formula of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile?
The molecular formula of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile is C16H14ClN.
What is the molecular weight of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile?
The molecular weight of 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile is 255.08 g/mol.
Where can I buy 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile?
You can request a quote for 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-beta-methyl-alpha-phenylhydrocinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.