N-phenylcarbamoyl chloride
TL;DR: N-phenylcarbamoyl chloride (CAS 2040-76-8) is a chemical compound with molecular formula C7H6ClNO and molecular weight 155.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylcarbamoyl chloride
Also Known As: Phenylcarbamic chloride, N-phenylcarbamoyl chloride, phenylcarbamoylchlorid, Phenylcarbamicchloride, phenylcarbamic acid chloride
| Molecular Formula | C7H6ClNO |
|---|---|
| Molecular Weight | 155.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0138 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 2040-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)Cl |
| InChIKey | YSBUANSGDLZTKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenylcarbamoyl chloride (CAS 2040-76-8), with molecular formula C7H6ClNO and molecular weight 155.01 g/mol. IUPAC: N-phenylcarbamoyl chloride.
Chemical Property Profile of N-phenylcarbamoyl chloride
Property Insights of N-phenylcarbamoyl chloride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenylcarbamoyl chloride. With a topological polar surface area (TPSA) of 29.1 Ų, N-phenylcarbamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenylcarbamoyl chloride has 1 hydrogen bond donor(s) and 1 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 N-phenylcarbamoyl chloride?
The CAS number of N-phenylcarbamoyl chloride is 2040-76-8.
What is the molecular formula of N-phenylcarbamoyl chloride?
The molecular formula of N-phenylcarbamoyl chloride is C7H6ClNO.
What is the molecular weight of N-phenylcarbamoyl chloride?
The molecular weight of N-phenylcarbamoyl chloride is 155.01 g/mol.
Where can I buy N-phenylcarbamoyl chloride?
You can request a quote for N-phenylcarbamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylcarbamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for N-phenylcarbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.