![4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate structure](/static/products/3696/369605-97-0.webp)
4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate
TL;DR: 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate (CAS 369605-97-0) is a chemical compound with molecular formula C14H26N2O6S2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate
Also Known As: 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate, 4-methyl-4-(3-(1-methylpiperidin-1-ium-1-yl)propanamido)tetrahydrothiophene-3-sulfonate 1,1-dioxide, 4-methyl-4-{[3-(1-methylpiperidinium-1-yl)propanoyl]amino}tetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C14H26N2O6S2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | -0.7759 |
| Topological Polar Surface Area | 120.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.12323 |
| Heavy Atoms | 24 |
| Complexity | 696.7763 |
Chemical Identifiers
| CAS Number | 369605-97-0 |
|---|---|
| SMILES | CC1(CS(=O)(=O)CC1S(=O)(=O)[O-])NC(=O)CC[N+]2(CCCCC2)C |
Product Overview
4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate (CAS 369605-97-0), with molecular formula C14H26N2O6S2 and molecular weight 382.12 g/mol. IUPAC: 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate
Property Insights of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate
The XLogP value of -0.7759 indicates that 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate 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 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate. Following Lipinski's Rule of Five, 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate 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 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate?
The CAS number of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate is 369605-97-0.
What is the molecular formula of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate?
The molecular formula of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate is C14H26N2O6S2.
What is the molecular weight of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate?
The molecular weight of 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate is 382.12 g/mol.
Where can I buy 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate?
You can request a quote for 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-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-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-4-[3-(1-methylpiperidin-1-ium-1-yl)propanoylamino]-1,1-dioxothiolane-3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.