3-(4-Chlorophenyl)-3-iminopropanenitrile
TL;DR: 3-(4-Chlorophenyl)-3-iminopropanenitrile (CAS 75232-07-4) is a chemical compound with molecular formula C9H7ClN2 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-3-iminopropanenitrile
Also Known As: 3-(4-Chlorophenyl)-3-iminopropannitril
| Molecular Formula | C9H7ClN2 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 2.62155 |
| Topological Polar Surface Area | 47.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.02977 |
| Heavy Atoms | 12 |
| Complexity | 321.37692 |
Chemical Identifiers
| CAS Number | 75232-07-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=N)CC#N)Cl |
Product Overview
3-(4-Chlorophenyl)-3-iminopropanenitrile (CAS 75232-07-4), with molecular formula C9H7ClN2 and molecular weight 178.03 g/mol. IUPAC: 3-(4-chlorophenyl)-3-iminopropanenitrile.
Chemical Property Profile of 3-(4-Chlorophenyl)-3-iminopropanenitrile
Property Insights of 3-(4-Chlorophenyl)-3-iminopropanenitrile
The XLogP value of 2.62155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-3-iminopropanenitrile. With a topological polar surface area (TPSA) of 47.64 Ų, 3-(4-Chlorophenyl)-3-iminopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-3-iminopropanenitrile has 1 hydrogen bond donor(s) and 2 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 3-(4-Chlorophenyl)-3-iminopropanenitrile?
The CAS number of 3-(4-Chlorophenyl)-3-iminopropanenitrile is 75232-07-4.
What is the molecular formula of 3-(4-Chlorophenyl)-3-iminopropanenitrile?
The molecular formula of 3-(4-Chlorophenyl)-3-iminopropanenitrile is C9H7ClN2.
What is the molecular weight of 3-(4-Chlorophenyl)-3-iminopropanenitrile?
The molecular weight of 3-(4-Chlorophenyl)-3-iminopropanenitrile is 178.03 g/mol.
Where can I buy 3-(4-Chlorophenyl)-3-iminopropanenitrile?
You can request a quote for 3-(4-Chlorophenyl)-3-iminopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-3-iminopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-3-iminopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.