1-(4-氯苯基)环戊甲腈
TL;DR: 1-(4-氯苯基)环戊甲腈 (CAS 64399-26-4) is a chemical compound with molecular formula C12H12ClN and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-氯苯基)环戊甲腈
1-(4-chlorophenyl)cyclopentane-1-carbonitrile
Also Known As: 1-(4-Chlorophenyl)cyclopentanecarbonitrile, 1-(4-chlorophenyl)cyclopentane-1-carbonitrile, 1- -1-cyclopentanecarbonitrile, 1-(4-CHLOROPHENYL)-1-CYCLOPENTANECARBONITRILE, Cyclopentanecarbonitrile, 1-(4-chlorophenyl)-
| Molecular Formula | C12H12ClN |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.06583 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 64399-26-4 |
|---|---|
| SMILES | C1CCC(C1)(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | TXVNBTOIDITCBF-UHFFFAOYSA-N |
Product Overview
1-(4-氯苯基)环戊甲腈 (CAS 64399-26-4), with molecular formula C12H12ClN and molecular weight 205.07 g/mol. IUPAC: 1-(4-chlorophenyl)cyclopentane-1-carbonitrile.
Chemical Property Profile of 1-(4-氯苯基)环戊甲腈
Property Insights of 1-(4-氯苯基)环戊甲腈
The XLogP value of 3.6 indicates that 1-(4-氯苯基)环戊甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(4-氯苯基)环戊甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-氯苯基)环戊甲腈 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-(4-氯苯基)环戊甲腈?
The CAS number of 1-(4-氯苯基)环戊甲腈 is 64399-26-4.
What is the molecular formula of 1-(4-氯苯基)环戊甲腈?
The molecular formula of 1-(4-氯苯基)环戊甲腈 is C12H12ClN.
What is the molecular weight of 1-(4-氯苯基)环戊甲腈?
The molecular weight of 1-(4-氯苯基)环戊甲腈 is 205.07 g/mol.
Where can I buy 1-(4-氯苯基)环戊甲腈?
You can request a quote for 1-(4-氯苯基)环戊甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-氯苯基)环戊甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-氯苯基)环戊甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.