2-(4-氯苯基)-3-苯基丙腈
TL;DR: 2-(4-氯苯基)-3-苯基丙腈 (CAS 63551-08-6) is a chemical compound with molecular formula C15H12ClN and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-氯苯基)-3-苯基丙腈
2-(4-chlorophenyl)-3-phenylpropanenitrile
Also Known As: 2-(4-chlorophenyl)-3-phenylpropanenitrile, 4-chlorophenylmethylbenzylcyanide, 2-(4-chlorophenyl)-3-phenyl-propanenitrile, 3-Phenyl-2-<4-chlor-phenyl>-propionitril, 2-(4-Chlorophenyl)-3-phenylpropiononitrile
| Molecular Formula | C15H12ClN |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06583 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 63551-08-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | NVMUWWIKRDQQQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-氯苯基)-3-苯基丙腈 (CAS 63551-08-6), with molecular formula C15H12ClN and molecular weight 241.07 g/mol. IUPAC: 2-(4-chlorophenyl)-3-phenylpropanenitrile.
Chemical Property Profile of 2-(4-氯苯基)-3-苯基丙腈
Property Insights of 2-(4-氯苯基)-3-苯基丙腈
The XLogP value of 4.2 indicates that 2-(4-氯苯基)-3-苯基丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(4-氯苯基)-3-苯基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-氯苯基)-3-苯基丙腈 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 2-(4-氯苯基)-3-苯基丙腈?
The CAS number of 2-(4-氯苯基)-3-苯基丙腈 is 63551-08-6.
What is the molecular formula of 2-(4-氯苯基)-3-苯基丙腈?
The molecular formula of 2-(4-氯苯基)-3-苯基丙腈 is C15H12ClN.
What is the molecular weight of 2-(4-氯苯基)-3-苯基丙腈?
The molecular weight of 2-(4-氯苯基)-3-苯基丙腈 is 241.07 g/mol.
Where can I buy 2-(4-氯苯基)-3-苯基丙腈?
You can request a quote for 2-(4-氯苯基)-3-苯基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-氯苯基)-3-苯基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-氯苯基)-3-苯基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.