1-Chloro-4-(2-isocyanoethyl)benzene
TL;DR: 1-Chloro-4-(2-isocyanoethyl)benzene (CAS 602262-89-5) 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-4-(2-isocyanoethyl)benzene
Also Known As: 1-chloro-4-(2-isocyanoethyl)benzene, 2-(4-Chlorophenyl)ethylisocyanide, 2- ETHYLISOCYANIDE, 2,6-Dichlorophenethylisocyanide
| 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 | 257.88638 |
Chemical Identifiers
| CAS Number | 602262-89-5 |
|---|---|
| SMILES | [C-]#[N+]CCC1=CC=C(C=C1)Cl |
Product Overview
1-Chloro-4-(2-isocyanoethyl)benzene (CAS 602262-89-5), with molecular formula C9H8ClN and molecular weight 165.03 g/mol. IUPAC: 1-chloro-4-(2-isocyanoethyl)benzene.
Chemical Property Profile of 1-Chloro-4-(2-isocyanoethyl)benzene
Property Insights of 1-Chloro-4-(2-isocyanoethyl)benzene
The XLogP value of 2.80179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(2-isocyanoethyl)benzene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Chloro-4-(2-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(2-isocyanoethyl)benzene 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 1-Chloro-4-(2-isocyanoethyl)benzene?
The CAS number of 1-Chloro-4-(2-isocyanoethyl)benzene is 602262-89-5.
What is the molecular formula of 1-Chloro-4-(2-isocyanoethyl)benzene?
The molecular formula of 1-Chloro-4-(2-isocyanoethyl)benzene is C9H8ClN.
What is the molecular weight of 1-Chloro-4-(2-isocyanoethyl)benzene?
The molecular weight of 1-Chloro-4-(2-isocyanoethyl)benzene is 165.03 g/mol.
Where can I buy 1-Chloro-4-(2-isocyanoethyl)benzene?
You can request a quote for 1-Chloro-4-(2-isocyanoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(2-isocyanoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(2-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.