1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea
TL;DR: 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea (CAS 871673-27-7) is a chemical compound with molecular formula C10H9ClN2O4 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-chloroacetamide
Also Known As: 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea, N-[(1,3-benzodioxol-5-ylamino)carbonyl]-2-chloroacetamide, 1-(1,3-Dioxaindan-5-yl)-3-(2-chloroacetyl)urea, N-(1,3-benzodioxol-5-ylcarbamoyl)-2-chloroacetamide, N-(1,3-benzodioxol-5-ylcarbamoyl)-2-chloro-acetamide
| Molecular Formula | C10H9ClN2O4 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.3022 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.0251 |
| Heavy Atoms | 17 |
| Complexity | 463.61917 |
Chemical Identifiers
| CAS Number | 871673-27-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CCl |
Product Overview
1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea (CAS 871673-27-7), with molecular formula C10H9ClN2O4 and molecular weight 256.03 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-chloroacetamide.
Chemical Property Profile of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea
Property Insights of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea
The XLogP value of 1.3022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea. Following Lipinski's Rule of Five, 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea has 2 hydrogen bond donor(s) and 4 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-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea?
The CAS number of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea is 871673-27-7.
What is the molecular formula of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea?
The molecular formula of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea is C10H9ClN2O4.
What is the molecular weight of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea?
The molecular weight of 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea is 256.03 g/mol.
Where can I buy 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea?
You can request a quote for 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1,3-benzodioxol-5-yl)-3-(2-chloroacetyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.