3-(2-Chloroacetyl)-1-(2-methylpropyl)urea
TL;DR: 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea (CAS 560995-27-9) is a chemical compound with molecular formula C7H13ClN2O2 and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-methylpropylcarbamoyl)acetamide
Also Known As: 3-(2-chloroacetyl)-1-(2-methylpropyl)urea, 1-(2-Chloro-acetyl)-3-isobutyl-urea, 2-chloro-N-(2-methylpropylcarbamoyl)acetamide, 2-chloro-N-(isobutylcarbamoyl)acetamide, 2-Chloro-N-[(2-methylpropyl)carbamoyl]acetamide
| Molecular Formula | C7H13ClN2O2 |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 0.707 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.06656 |
| Heavy Atoms | 12 |
| Complexity | 170.7893 |
Chemical Identifiers
| CAS Number | 560995-27-9 |
|---|---|
| SMILES | CC(C)CNC(=O)NC(=O)CCl |
Product Overview
3-(2-Chloroacetyl)-1-(2-methylpropyl)urea (CAS 560995-27-9), with molecular formula C7H13ClN2O2 and molecular weight 192.07 g/mol. IUPAC: 2-chloro-N-(2-methylpropylcarbamoyl)acetamide.
Chemical Property Profile of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea
Property Insights of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea
The XLogP value of 0.707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea. With a topological polar surface area (TPSA) of 58.2 Ų, 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloroacetyl)-1-(2-methylpropyl)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 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea?
The CAS number of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea is 560995-27-9.
What is the molecular formula of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea?
The molecular formula of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea is C7H13ClN2O2.
What is the molecular weight of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea?
The molecular weight of 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea is 192.07 g/mol.
Where can I buy 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea?
You can request a quote for 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.