Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate
TL;DR: Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate (CAS 29587-10-8) is a chemical compound with molecular formula C14H20O9S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate
Also Known As: methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate, Dimethyl 2,3,4-tri-O-acetyl-1-thiohexopyranosiduronate, Methyl 2,3,4-tri-O-acetyl-beta-D-thiogalactopyranosiduronic acid methyl ester, Methyl 2,3,4-tri-O-acetyl-b-D-thiogalacturonide methyl ester, Methyl 3,4,5-triacetyloxy-6-methylsulfanyl-oxane-2-carboxylate
| Molecular Formula | C14H20O9S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 0.0424 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0828 |
| Heavy Atoms | 24 |
| Complexity | 506.47357 |
Chemical Identifiers
| CAS Number | 29587-10-8 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)SC)C(=O)OC)OC(=O)C |
Product Overview
Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate (CAS 29587-10-8), with molecular formula C14H20O9S and molecular weight 364.08 g/mol. IUPAC: methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate.
Chemical Property Profile of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate
Property Insights of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate
The XLogP value of 0.0424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate has 0 hydrogen bond donor(s) and 10 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 Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate?
The CAS number of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate is 29587-10-8.
What is the molecular formula of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate?
The molecular formula of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate is C14H20O9S.
What is the molecular weight of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate?
The molecular weight of Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate is 364.08 g/mol.
Where can I buy Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate?
You can request a quote for Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5-triacetyloxy-6-methylsulfanyloxane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.