3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
TL;DR: 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea (CAS 863669-63-0) is a chemical compound with molecular formula C12H13ClN2O4 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide
Also Known As: 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea, 2-chloro-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)carbonyl]acetamide, 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide
| Molecular Formula | C12H13ClN2O4 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 1.7348 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0564 |
| Heavy Atoms | 19 |
| Complexity | 492.61777 |
Chemical Identifiers
| CAS Number | 863669-63-0 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CCl)OC1 |
Product Overview
3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea (CAS 863669-63-0), with molecular formula C12H13ClN2O4 and molecular weight 284.06 g/mol. IUPAC: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)acetamide.
Chemical Property Profile of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
Property Insights of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
The XLogP value of 1.7348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea. Following Lipinski's Rule of Five, 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)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 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea?
The CAS number of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea is 863669-63-0.
What is the molecular formula of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea?
The molecular formula of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea is C12H13ClN2O4.
What is the molecular weight of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea?
The molecular weight of 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea is 284.06 g/mol.
Where can I buy 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea?
You can request a quote for 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloroacetyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.