1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea
TL;DR: 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea (CAS 1443-97-6) is a chemical compound with molecular formula C13H19N3O3S and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-3-(benzenesulfonyl)urea
Also Known As: methylene blue, 1-(azepan-1-yl)-3-(benzenesulfonyl)urea, 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea, Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(phenylsulfonyl)-, Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-
| Molecular Formula | C13H19N3O3S |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.11472 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 1443-97-6 |
|---|---|
| SMILES | C1CCCN(CC1)NC(=O)NS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | NZDKMBBIDFIQEZ-UHFFFAOYSA-N |
Product Overview
1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea (CAS 1443-97-6), with molecular formula C13H19N3O3S and molecular weight 297.11 g/mol. IUPAC: 1-(azepan-1-yl)-3-(benzenesulfonyl)urea.
Chemical Property Profile of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea
Property Insights of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea. Following Lipinski's Rule of Five, 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)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-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea?
The CAS number of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea is 1443-97-6.
What is the molecular formula of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea?
The molecular formula of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea is C13H19N3O3S.
What is the molecular weight of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea?
The molecular weight of 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea is 297.11 g/mol.
Where can I buy 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea?
You can request a quote for 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.