4-Chlorobenacil
TL;DR: 4-Chlorobenacil (CAS 42784-16-7) is a chemical compound with molecular formula C17H14ClN3O4 and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[1-[2-(4-chlorophenoxy)acetyl]benzimidazol-2-yl]carbamate
Also Known As: 4-Chlorobenacil, 4-Chlorobenacyl, 4-Chloro-1-phenoxyacetyl-2-methoxycarbonylaminobenzimidazole, methyl N-[1-[2-(4-chlorophenoxy)acetyl]benzimidazol-2-yl]carbamate, Carbamic acid, (1-((4-chlorophenoxy)acetyl)-1H-benzimidazol-2-yl)-, methyl ester
| Molecular Formula | C17H14ClN3O4 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 3.5872 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0673 |
| Heavy Atoms | 25 |
| Complexity | 921.2926 |
Chemical Identifiers
| CAS Number | 42784-16-7 |
|---|---|
| SMILES | COC(=O)NC1=NC2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)Cl |
Product Overview
4-Chlorobenacil (CAS 42784-16-7), with molecular formula C17H14ClN3O4 and molecular weight 359.07 g/mol. IUPAC: methyl N-[1-[2-(4-chlorophenoxy)acetyl]benzimidazol-2-yl]carbamate.
Chemical Property Profile of 4-Chlorobenacil
Property Insights of 4-Chlorobenacil
The XLogP value of 3.5872 indicates that 4-Chlorobenacil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenacil. Following Lipinski's Rule of Five, 4-Chlorobenacil has 1 hydrogen bond donor(s) and 5 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 4-Chlorobenacil?
The CAS number of 4-Chlorobenacil is 42784-16-7.
What is the molecular formula of 4-Chlorobenacil?
The molecular formula of 4-Chlorobenacil is C17H14ClN3O4.
What is the molecular weight of 4-Chlorobenacil?
The molecular weight of 4-Chlorobenacil is 359.07 g/mol.
Where can I buy 4-Chlorobenacil?
You can request a quote for 4-Chlorobenacil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenacil?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenacil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.