BAS 00478786
TL;DR: BAS 00478786 (CAS 333393-65-0) is a chemical compound with molecular formula C13H24N2O7S2 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate
Also Known As: BAS 00478786, 4-methyl-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate, 4-methyl-4-[3-(4-methylmorpholin-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulf onic acid, 4-methyl-4-(3-(4-methylmorpholino-4-ium)propanamido)tetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-methyl-4-{[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]amino}tetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C13H24N2O7S2 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | -1.9296 |
| Topological Polar Surface Area | 129.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.1025 |
| Heavy Atoms | 24 |
| Complexity | 697.83185 |
Chemical Identifiers
| CAS Number | 333393-65-0 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+]2(CCOCC2)C |
Product Overview
BAS 00478786 (CAS 333393-65-0), with molecular formula C13H24N2O7S2 and molecular weight 384.10 g/mol. IUPAC: 4-methyl-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of BAS 00478786
Property Insights of BAS 00478786
The XLogP value of -1.9296 indicates that BAS 00478786 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00478786. Following Lipinski's Rule of Five, BAS 00478786 has 1 hydrogen bond donor(s) and 7 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 00478786?
The CAS number of BAS 00478786 is 333393-65-0.
What is the molecular formula of BAS 00478786?
The molecular formula of BAS 00478786 is C13H24N2O7S2.
What is the molecular weight of BAS 00478786?
The molecular weight of BAS 00478786 is 384.10 g/mol.
Where can I buy BAS 00478786?
You can request a quote for BAS 00478786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478786?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.