Octylsulfonylurea
TL;DR: Octylsulfonylurea (CAS 98952-48-8) is a chemical compound with molecular formula C9H20N2O3S and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octylsulfonylurea
Also Known As: octylsulfonylurea, (octane-1-sulfonyl)-urea, 1-Octanesulfonamide, N-(aminocarbonyl)-
| Molecular Formula | C9H20N2O3S |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.11946 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 98952-48-8 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)NC(=O)N |
| InChIKey | MMALOWWXUNYNBR-UHFFFAOYSA-N |
Product Overview
Octylsulfonylurea (CAS 98952-48-8), with molecular formula C9H20N2O3S and molecular weight 236.12 g/mol. IUPAC: octylsulfonylurea.
Chemical Property Profile of Octylsulfonylurea
Property Insights of Octylsulfonylurea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octylsulfonylurea. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Octylsulfonylurea. Following Lipinski's Rule of Five, Octylsulfonylurea has 2 hydrogen bond donor(s) and 3 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 Octylsulfonylurea?
The CAS number of Octylsulfonylurea is 98952-48-8.
What is the molecular formula of Octylsulfonylurea?
The molecular formula of Octylsulfonylurea is C9H20N2O3S.
What is the molecular weight of Octylsulfonylurea?
The molecular weight of Octylsulfonylurea is 236.12 g/mol.
Where can I buy Octylsulfonylurea?
You can request a quote for Octylsulfonylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octylsulfonylurea?
Yes, KEHONG BIO provides custom synthesis services for Octylsulfonylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.