1-(4-氯苯基)环丙烷甲腈
TL;DR: 1-(4-氯苯基)环丙烷甲腈 (CAS 64399-27-5) is a chemical compound with molecular formula C10H8ClN and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-氯苯基)环丙烷甲腈
1-(4-chlorophenyl)cyclopropane-1-carbonitrile
Also Known As: 1-(4-Chlorophenyl)cyclopropanecarbonitrile, 1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE, 1-(4-chlorophenyl)cyclopropane-1-carbonitrile, 2,2,4-Trimethyl-3-pentanone, 1-(p-Chlorophenyl)cyclopropanecarbonitrile
| Molecular Formula | C10H8ClN |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03453 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 64399-27-5 |
|---|---|
| SMILES | C1CC1(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | BVWSEHMDAKSWQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-氯苯基)环丙烷甲腈 (CAS 64399-27-5), with molecular formula C10H8ClN and molecular weight 177.03 g/mol. IUPAC: 1-(4-chlorophenyl)cyclopropane-1-carbonitrile.
Chemical Property Profile of 1-(4-氯苯基)环丙烷甲腈
Property Insights of 1-(4-氯苯基)环丙烷甲腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-氯苯基)环丙烷甲腈. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(4-氯苯基)环丙烷甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(对氯苯基)环丙烷甲腈 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 1-(对氯苯基)环丙烷甲腈?
The CAS number of 1-(对氯苯基)环丙烷甲腈 is 64399-27-5.
What is the molecular formula of 1-(对氯苯基)环丙烷甲腈?
The molecular formula of 1-(对氯苯基)环丙烷甲腈 is C10H8ClN.
What is the molecular weight of 1-(对氯苯基)环丙烷甲腈?
The molecular weight of 1-(对氯苯基)环丙烷甲腈 is 177.03 g/mol.
Where can I buy 1-(对氯苯基)环丙烷甲腈?
You can request a quote for 1-(对氯苯基)环丙烷甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(对氯苯基)环丙烷甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-(对氯苯基)环丙烷甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.