3-(2-Chloroacetyl)-1-(3-methylbutyl)urea
TL;DR: 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea (CAS 737812-84-9) is a chemical compound with molecular formula C8H15ClN2O2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3-methylbutylcarbamoyl)acetamide
Also Known As: 3-(2-chloroacetyl)-1-(3-methylbutyl)urea, 1-(2-Chloro-acetyl)-3-(3-methyl-butyl)-urea, 2-chloro-N-(3-methylbutylcarbamoyl)acetamide, 2-chloro-N-(isopentylcarbamoyl)acetamide, 1-(2-chloroacetyl)-3-(3-methylbutyl)urea
| Molecular Formula | C8H15ClN2O2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 1.0971 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0822 |
| Heavy Atoms | 13 |
| Complexity | 182.98283 |
Chemical Identifiers
| CAS Number | 737812-84-9 |
|---|---|
| SMILES | CC(C)CCNC(=O)NC(=O)CCl |
Product Overview
3-(2-Chloroacetyl)-1-(3-methylbutyl)urea (CAS 737812-84-9), with molecular formula C8H15ClN2O2 and molecular weight 206.08 g/mol. IUPAC: 2-chloro-N-(3-methylbutylcarbamoyl)acetamide.
Chemical Property Profile of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea
Property Insights of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea
The XLogP value of 1.0971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea. With a topological polar surface area (TPSA) of 58.2 Ų, 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloroacetyl)-1-(3-methylbutyl)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-(3-methylbutyl)urea?
The CAS number of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea is 737812-84-9.
What is the molecular formula of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea?
The molecular formula of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea is C8H15ClN2O2.
What is the molecular weight of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea?
The molecular weight of 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea is 206.08 g/mol.
Where can I buy 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea?
You can request a quote for 3-(2-Chloroacetyl)-1-(3-methylbutyl)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-(3-methylbutyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloroacetyl)-1-(3-methylbutyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.