4-Chlorophenyl imidocarbamate
TL;DR: 4-Chlorophenyl imidocarbamate (CAS 6333-13-7) is a chemical compound with molecular formula C7H7ClN2O and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) carbamimidate
Also Known As: 4-Chlorophenyl imidocarbamate, 2-(4-chlorophenyl)isourea, 4-Chlorophenyl carbamimidate, (4-chlorophenyl) carbamimidate
| Molecular Formula | C7H7ClN2O |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.02469 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 6333-13-7 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=N)N)Cl |
| InChIKey | AXJWTRIFRLYPEF-UHFFFAOYSA-N |
Product Overview
4-Chlorophenyl imidocarbamate (CAS 6333-13-7), with molecular formula C7H7ClN2O and molecular weight 170.02 g/mol. IUPAC: (4-chlorophenyl) carbamimidate.
Chemical Property Profile of 4-Chlorophenyl imidocarbamate
Property Insights of 4-Chlorophenyl imidocarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl imidocarbamate. With a topological polar surface area (TPSA) of 59.1 Ų, 4-Chlorophenyl imidocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl imidocarbamate has 2 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 4-Chlorophenyl imidocarbamate?
The CAS number of 4-Chlorophenyl imidocarbamate is 6333-13-7.
What is the molecular formula of 4-Chlorophenyl imidocarbamate?
The molecular formula of 4-Chlorophenyl imidocarbamate is C7H7ClN2O.
What is the molecular weight of 4-Chlorophenyl imidocarbamate?
The molecular weight of 4-Chlorophenyl imidocarbamate is 170.02 g/mol.
Where can I buy 4-Chlorophenyl imidocarbamate?
You can request a quote for 4-Chlorophenyl imidocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl imidocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl imidocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.