BAS 00478788
TL;DR: BAS 00478788 (CAS 333393-66-1) is a chemical compound with molecular formula C12H24N2O7S2 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate
Also Known As: BAS 00478788, 4-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate, 4-({3-[(2-hydroxyethyl)(dimethyl)ammonio]propanoyl}amino)-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-(3-((2-hydroxyethyl)dimethylammonio)propanamido)-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-{3-[(2-hydroxyethyl)dimethylamino]propanoylamino}-4-methyl-1,1-dioxothiolane -3-sulfonic acid
| Molecular Formula | C12H24N2O7S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | -2.3377 |
| Topological Polar Surface Area | 140.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.1025 |
| Heavy Atoms | 23 |
| Complexity | 656.89667 |
Chemical Identifiers
| CAS Number | 333393-66-1 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CCO |
Product Overview
BAS 00478788 (CAS 333393-66-1), with molecular formula C12H24N2O7S2 and molecular weight 372.10 g/mol. IUPAC: 4-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of BAS 00478788
Property Insights of BAS 00478788
The XLogP value of -2.3377 indicates that BAS 00478788 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.67 Ų indicates high polarity, suggesting BAS 00478788 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00478788 has 2 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 00478788?
The CAS number of BAS 00478788 is 333393-66-1.
What is the molecular formula of BAS 00478788?
The molecular formula of BAS 00478788 is C12H24N2O7S2.
What is the molecular weight of BAS 00478788?
The molecular weight of BAS 00478788 is 372.10 g/mol.
Where can I buy BAS 00478788?
You can request a quote for BAS 00478788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478788?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.