RefChem:477054
TL;DR: RefChem:477054 (CAS 58596-05-7) is a chemical compound with molecular formula C13H14ClNO9S4 and molecular weight 490.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[bis(methylsulfonyl)amino]-2-chlorosulfonylnaphthalen-1-yl] methanesulfonate
Also Known As: 2-Naphthalenesulfonyl chloride, 5-[bis(methylsulfonyl)amino]-1-[(methylsulfonyl)oxy]-, 5-(Bis(methylsulfonyl)amino)-1-((methylsulfonyl)oxy)naphthalene-2-sulfonyl chloride, 5-[bis(methylsulfonyl)amino]-2-(chlorosulfonyl)-1-naphthyl methanesulfonate, 2-Naphthalenesulfonyl chloride, 5-(bis(methylsulfonyl)amino)-1-((methylsulfonyl)oxy)-, [5-[bis(methylsulfonyl)amino]-2-chlorosulfonylnaphthalen-1-yl] methanesulfonate
| Molecular Formula | C13H14ClNO9S4 |
|---|---|
| Molecular Weight | 490.92 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.92398 |
| Heavy Atoms | 28 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 58596-05-7 |
|---|---|
| SMILES | CS(=O)(=O)N(C1=CC=CC2=C1C=CC(=C2OS(=O)(=O)C)S(=O)(=O)Cl)S(=O)(=O)C |
| InChIKey | YRNVMLHKHZVDMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:477054 (CAS 58596-05-7), with molecular formula C13H14ClNO9S4 and molecular weight 490.92 g/mol. IUPAC: [5-[bis(methylsulfonyl)amino]-2-chlorosulfonylnaphthalen-1-yl] methanesulfonate.
Chemical Property Profile of RefChem:477054
Property Insights of RefChem:477054
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:477054. The TPSA of 183.0 Ų indicates high polarity, suggesting RefChem:477054 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:477054 has 0 hydrogen bond donor(s) and 10 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 RefChem:477054?
The CAS number of RefChem:477054 is 58596-05-7.
What is the molecular formula of RefChem:477054?
The molecular formula of RefChem:477054 is C13H14ClNO9S4.
What is the molecular weight of RefChem:477054?
The molecular weight of RefChem:477054 is 490.92 g/mol.
Where can I buy RefChem:477054?
You can request a quote for RefChem:477054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:477054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:477054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.