B5806_SIGMA
TL;DR: B5806_SIGMA (CAS 284464-46-6) is a chemical compound with molecular formula C17H26N4O5S and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[2-(cyclohexylamino)-5-nitrophenyl]sulfonylurea
Also Known As: B5806_SIGMA, Benzenesulfonamide, 2-(cyclohexylamino)-N-(((1,1-dimethylethyl)amino)carbonyl)-5-nitro-, 1-tert-butyl-3-[2-(cyclohexylamino)-5-nitrophenyl]sulfonylurea, BM-531, >=97% (HPLC), solid, J1.311.229K
| Molecular Formula | C17H26N4O5S |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 3.1258 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.16238 |
| Heavy Atoms | 27 |
| Complexity | 811.10297 |
Chemical Identifiers
| CAS Number | 284464-46-6 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2 |
Product Overview
B5806_SIGMA (CAS 284464-46-6), with molecular formula C17H26N4O5S and molecular weight 398.16 g/mol. IUPAC: 1-tert-butyl-3-[2-(cyclohexylamino)-5-nitrophenyl]sulfonylurea.
Chemical Property Profile of B5806_SIGMA
Property Insights of B5806_SIGMA
The XLogP value of 3.1258 indicates that B5806_SIGMA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for B5806_SIGMA. Following Lipinski's Rule of Five, B5806_SIGMA has 3 hydrogen bond donor(s) and 6 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 B5806_SIGMA?
The CAS number of B5806_SIGMA is 284464-46-6.
What is the molecular formula of B5806_SIGMA?
The molecular formula of B5806_SIGMA is C17H26N4O5S.
What is the molecular weight of B5806_SIGMA?
The molecular weight of B5806_SIGMA is 398.16 g/mol.
Where can I buy B5806_SIGMA?
You can request a quote for B5806_SIGMA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B5806_SIGMA?
Yes, KEHONG BIO provides custom synthesis services for B5806_SIGMA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.