1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea
TL;DR: 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea (CAS 5544-34-3) is a chemical compound with molecular formula C6H9ClN2O2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(prop-2-enylcarbamoyl)acetamide
Also Known As: Pemirolast, 1-Allyl-3-(2-chloro-acetyl)-urea, N-(Allylcarbamoyl)-2-chloroacetamide, 1-chloroacetyl-3-allylurea, 2-chloro-N-(prop-2-enylcarbamoyl)acetamide
| Molecular Formula | C6H9ClN2O2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 0.237 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.03525 |
| Heavy Atoms | 11 |
| Complexity | 169.96523 |
Chemical Identifiers
| CAS Number | 5544-34-3 |
|---|---|
| SMILES | C=CCNC(=O)NC(=O)CCl |
Product Overview
1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea (CAS 5544-34-3), with molecular formula C6H9ClN2O2 and molecular weight 176.04 g/mol. IUPAC: 2-chloro-N-(prop-2-enylcarbamoyl)acetamide.
Chemical Property Profile of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea
Property Insights of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea
The XLogP value of 0.237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)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 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea?
The CAS number of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea is 5544-34-3.
What is the molecular formula of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea?
The molecular formula of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea is C6H9ClN2O2.
What is the molecular weight of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea?
The molecular weight of 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea is 176.04 g/mol.
Where can I buy 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea?
You can request a quote for 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroacetyl)-3-(prop-2-en-1-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.