methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate
TL;DR: methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate (CAS 67693-47-4) is a chemical compound with molecular formula C18H20N4O9S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate
Also Known As: 2-Piperidinone,6-hydroxy-1-phenyl, methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate, 9-(2,3,4-Tri-O-acetyl-6-methylhexopyranosyluronosyl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C18H20N4O9S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 0.35439 |
| Topological Polar Surface Area | 160.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.0951 |
| Heavy Atoms | 32 |
| Complexity | 1113.3057 |
Chemical Identifiers
| CAS Number | 67693-47-4 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)C(=O)OC)OC(=O)C |
Product Overview
methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate (CAS 67693-47-4), with molecular formula C18H20N4O9S and molecular weight 468.10 g/mol. IUPAC: methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate.
Chemical Property Profile of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate
Property Insights of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate
The XLogP value of 0.35439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate. The TPSA of 160.93 Ų indicates high polarity, suggesting methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate?
The CAS number of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate is 67693-47-4.
What is the molecular formula of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate?
The molecular formula of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate is C18H20N4O9S.
What is the molecular weight of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate?
The molecular weight of methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate is 468.10 g/mol.
Where can I buy methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate?
You can request a quote for methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-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-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.