9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol
TL;DR: 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol (CAS 18520-92-8) is a chemical compound with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate
Also Known As: 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol, [4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate
| Molecular Formula | C16H18N4O7S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 0.81279 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.08963 |
| Heavy Atoms | 28 |
| Complexity | 971.29865 |
Chemical Identifiers
| CAS Number | 18520-92-8 |
|---|---|
| SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC=NC3=S |
Product Overview
9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol (CAS 18520-92-8), with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol. IUPAC: [4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate.
Chemical Property Profile of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol
Property Insights of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol
The XLogP value of 0.81279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol. Following Lipinski's Rule of Five, 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol has 1 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 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol?
The CAS number of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol is 18520-92-8.
What is the molecular formula of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol?
The molecular formula of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol is C16H18N4O7S.
What is the molecular weight of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol?
The molecular weight of 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol is 410.09 g/mol.
Where can I buy 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol?
You can request a quote for 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 9-(2,3,4-Tri-O-acetylpentopyranosyl)-9H-purine-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.