1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea
TL;DR: 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea (CAS 3168-04-5) is a chemical compound with molecular formula C15H21N3O4S and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetylphenyl)sulfonyl-3-(azepan-1-yl)urea
Also Known As: 1-(4-acetylphenyl)sulfonyl-3-(azepan-1-yl)urea, 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea, 4-Acetyl-N-[(azepan-1-yl)carbamoyl]benzene-1-sulfonamide, Urea, 1-((p-acetylphenyl)sulfonyl)-3-(hexahydro-1H-azepin-1-yl)-, Benzenesulfonamide, 4-acetyl-N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-
| Molecular Formula | C15H21N3O4S |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.12527 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 3168-04-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2 |
| InChIKey | NUCDCTBKWODASR-UHFFFAOYSA-N |
Product Overview
1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea (CAS 3168-04-5), with molecular formula C15H21N3O4S and molecular weight 339.13 g/mol. IUPAC: 1-(4-acetylphenyl)sulfonyl-3-(azepan-1-yl)urea.
Chemical Property Profile of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea
Property Insights of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea. Following Lipinski's Rule of Five, 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea has 2 hydrogen bond donor(s) and 5 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-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea?
The CAS number of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea is 3168-04-5.
What is the molecular formula of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea?
The molecular formula of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea is C15H21N3O4S.
What is the molecular weight of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea?
The molecular weight of 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea is 339.13 g/mol.
Where can I buy 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea?
You can request a quote for 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-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-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.