![4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate structure](/static/products/303/303959-80-0.png)
4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate
TL;DR: 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate (CAS 303959-80-0) is a chemical compound with molecular formula C13H23N3O6S2 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-cyanoethyl(dimethyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate
Also Known As: 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate, 4-({3-[(2-cyanoethyl)(dimethyl)ammonio]propanoyl}amino)-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-(3-((2-cyanoethyl)dimethylammonio)propanamido)-4-methyltetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-[3-[2-cyanoethyl(dimethyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate
| Molecular Formula | C13H23N3O6S2 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | -1.41632 |
| Topological Polar Surface Area | 144.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.1028 |
| Heavy Atoms | 24 |
| Complexity | 738.15894 |
Chemical Identifiers
| CAS Number | 303959-80-0 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CCC#N |
Product Overview
4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate (CAS 303959-80-0), with molecular formula C13H23N3O6S2 and molecular weight 381.10 g/mol. IUPAC: 4-[3-[2-cyanoethyl(dimethyl)azaniumyl]propanoylamino]-4-methyl-1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate
Property Insights of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate
The XLogP value of -1.41632 indicates that 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.23 Ų indicates high polarity, suggesting 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate 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 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate?
The CAS number of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate is 303959-80-0.
What is the molecular formula of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate?
The molecular formula of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate is C13H23N3O6S2.
What is the molecular weight of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate?
The molecular weight of 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate is 381.10 g/mol.
Where can I buy 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate?
You can request a quote for 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2-cyanoethyl-dimethyl-ammonio)propanoylamino]-4-methyl-1,1-dioxo-thiolane-3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.