BAS 00478790
TL;DR: BAS 00478790 (CAS 333393-67-2) is a chemical compound with molecular formula C13H24N2O6S2 and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[dimethyl(prop-2-enyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate
Also Known As: BAS 00478790, 4-[3-[dimethyl(prop-2-enyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate, 4-(3-(allyldimethylammonio)propanamido)-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-({3-[dimethyl(prop-2-en-1-yl)ammonio]propanoyl}amino)-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C13H24N2O6S2 |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | -1.144 |
| Topological Polar Surface Area | 120.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.10757 |
| Heavy Atoms | 23 |
| Complexity | 683.2533 |
Chemical Identifiers
| CAS Number | 333393-67-2 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CC=C |
Product Overview
BAS 00478790 (CAS 333393-67-2), with molecular formula C13H24N2O6S2 and molecular weight 368.11 g/mol. IUPAC: 4-[3-[dimethyl(prop-2-enyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of BAS 00478790
Property Insights of BAS 00478790
The XLogP value of -1.144 indicates that BAS 00478790 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 00478790. Following Lipinski's Rule of Five, BAS 00478790 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 00478790?
The CAS number of BAS 00478790 is 333393-67-2.
What is the molecular formula of BAS 00478790?
The molecular formula of BAS 00478790 is C13H24N2O6S2.
What is the molecular weight of BAS 00478790?
The molecular weight of BAS 00478790 is 368.11 g/mol.
Where can I buy BAS 00478790?
You can request a quote for BAS 00478790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478790?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.