BAS 00478791
TL;DR: BAS 00478791 (CAS 303959-79-7) is a chemical compound with molecular formula C11H22N2O6S2 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,1-dioxo-4-[3-(trimethylazaniumyl)propanoylamino]thiolane-3-sulfonate
Also Known As: BAS 00478791, 4-methyl-1,1-dioxo-4-[3-(trimethylazaniumyl)propanoylamino]thiolane-3-sulfonate, 4-methyl-4-(3-(trimethylammonio)propanamido)tetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-methyl-4-{[3-(trimethylammonio)propanoyl]amino}tetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C11H22N2O6S2 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | -1.7002 |
| Topological Polar Surface Area | 120.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.09192 |
| Heavy Atoms | 21 |
| Complexity | 619.5891 |
Chemical Identifiers
| CAS Number | 303959-79-7 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+](C)(C)C |
Product Overview
BAS 00478791 (CAS 303959-79-7), with molecular formula C11H22N2O6S2 and molecular weight 342.09 g/mol. IUPAC: 4-methyl-1,1-dioxo-4-[3-(trimethylazaniumyl)propanoylamino]thiolane-3-sulfonate.
Chemical Property Profile of BAS 00478791
Property Insights of BAS 00478791
The XLogP value of -1.7002 indicates that BAS 00478791 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00478791. Following Lipinski's Rule of Five, BAS 00478791 has 1 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 BAS 00478791?
The CAS number of BAS 00478791 is 303959-79-7.
What is the molecular formula of BAS 00478791?
The molecular formula of BAS 00478791 is C11H22N2O6S2.
What is the molecular weight of BAS 00478791?
The molecular weight of BAS 00478791 is 342.09 g/mol.
Where can I buy BAS 00478791?
You can request a quote for BAS 00478791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478791?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.