N-(Chloroacetyl)-N'-(4-methylphenyl)urea
TL;DR: N-(Chloroacetyl)-N'-(4-methylphenyl)urea (CAS 13558-77-5) is a chemical compound with molecular formula C10H11ClN2O2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(4-methylphenyl)carbamoyl]acetamide
Also Known As: 1-(2-chloroacetyl)-3-p-tolylurea, 3-(2-chloroacetyl)-1-(4-methylphenyl)urea, N-(Chloroacetyl)-N'-(4-methylphenyl)urea, 2-chloro-N-[(4-methylphenyl)carbamoyl]acetamide, 2-chloro-N-(p-tolylcarbamoyl)acetamide
| Molecular Formula | C10H11ClN2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0509 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 13558-77-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC(=O)CCl |
| InChIKey | FLTLDRPQJUQSPI-UHFFFAOYSA-N |
Product Overview
N-(Chloroacetyl)-N'-(4-methylphenyl)urea (CAS 13558-77-5), with molecular formula C10H11ClN2O2 and molecular weight 226.05 g/mol. IUPAC: 2-chloro-N-[(4-methylphenyl)carbamoyl]acetamide.
Chemical Property Profile of N-(Chloroacetyl)-N'-(4-methylphenyl)urea
Property Insights of N-(Chloroacetyl)-N'-(4-methylphenyl)urea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Chloroacetyl)-N'-(4-methylphenyl)urea. With a topological polar surface area (TPSA) of 58.2 Ų, N-(Chloroacetyl)-N'-(4-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Chloroacetyl)-N'-(4-methylphenyl)urea 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 N-(Chloroacetyl)-N'-(4-methylphenyl)urea?
The CAS number of N-(Chloroacetyl)-N'-(4-methylphenyl)urea is 13558-77-5.
What is the molecular formula of N-(Chloroacetyl)-N'-(4-methylphenyl)urea?
The molecular formula of N-(Chloroacetyl)-N'-(4-methylphenyl)urea is C10H11ClN2O2.
What is the molecular weight of N-(Chloroacetyl)-N'-(4-methylphenyl)urea?
The molecular weight of N-(Chloroacetyl)-N'-(4-methylphenyl)urea is 226.05 g/mol.
Where can I buy N-(Chloroacetyl)-N'-(4-methylphenyl)urea?
You can request a quote for N-(Chloroacetyl)-N'-(4-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Chloroacetyl)-N'-(4-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(Chloroacetyl)-N'-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.