2-(3-Chlorophenyl)ethylisocyanide
TL;DR: 2-(3-Chlorophenyl)ethylisocyanide (CAS 730964-64-4) is a chemical compound with molecular formula C9H8ClN and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(2-isocyanoethyl)benzene
Also Known As: 1-chloro-3-(2-isocyanoethyl)benzene, 2-(3-Chlorophenyl)ethylisocyanide, 2- ETHYLISOCYANIDE
| Molecular Formula | C9H8ClN |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 2.80179 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.03453 |
| Heavy Atoms | 11 |
| Complexity | 275.13638 |
Chemical Identifiers
| CAS Number | 730964-64-4 |
|---|---|
| SMILES | [C-]#[N+]CCC1=CC(=CC=C1)Cl |
Product Overview
2-(3-Chlorophenyl)ethylisocyanide (CAS 730964-64-4), with molecular formula C9H8ClN and molecular weight 165.03 g/mol. IUPAC: 1-chloro-3-(2-isocyanoethyl)benzene.
Chemical Property Profile of 2-(3-Chlorophenyl)ethylisocyanide
Property Insights of 2-(3-Chlorophenyl)ethylisocyanide
The XLogP value of 2.80179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chlorophenyl)ethylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 2-(3-Chlorophenyl)ethylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)ethylisocyanide has 0 hydrogen bond donor(s) and 0 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-(3-Chlorophenyl)ethylisocyanide?
The CAS number of 2-(3-Chlorophenyl)ethylisocyanide is 730964-64-4.
What is the molecular formula of 2-(3-Chlorophenyl)ethylisocyanide?
The molecular formula of 2-(3-Chlorophenyl)ethylisocyanide is C9H8ClN.
What is the molecular weight of 2-(3-Chlorophenyl)ethylisocyanide?
The molecular weight of 2-(3-Chlorophenyl)ethylisocyanide is 165.03 g/mol.
Where can I buy 2-(3-Chlorophenyl)ethylisocyanide?
You can request a quote for 2-(3-Chlorophenyl)ethylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorophenyl)ethylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)ethylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.