9H-Purine-6-thiol, 2',3',5'-tributyrate
TL;DR: 9H-Purine-6-thiol, 2',3',5'-tributyrate (CAS 7764-80-9) is a chemical compound with molecular formula C22H30N4O7S and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
Also Known As: 9H-Purine-6-thiol, 2',3',5'-tributyrate, [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate, 9-(2,3,5-Tri-O-butanoylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione, 9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-, 2',3',5'-tributyrate
| Molecular Formula | C22H30N4O7S |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 3.15339 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 494.18353 |
| Heavy Atoms | 34 |
| Complexity | 1068.9456 |
Chemical Identifiers
| CAS Number | 7764-80-9 |
|---|---|
| SMILES | CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCC)OC(=O)CCC |
Product Overview
9H-Purine-6-thiol, 2',3',5'-tributyrate (CAS 7764-80-9), with molecular formula C22H30N4O7S and molecular weight 494.18 g/mol. IUPAC: [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate.
Chemical Property Profile of 9H-Purine-6-thiol, 2',3',5'-tributyrate
Property Insights of 9H-Purine-6-thiol, 2',3',5'-tributyrate
The XLogP value of 3.15339 indicates that 9H-Purine-6-thiol, 2',3',5'-tributyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-6-thiol, 2',3',5'-tributyrate. Following Lipinski's Rule of Five, 9H-Purine-6-thiol, 2',3',5'-tributyrate 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 9H-Purine-6-thiol, 2',3',5'-tributyrate?
The CAS number of 9H-Purine-6-thiol, 2',3',5'-tributyrate is 7764-80-9.
What is the molecular formula of 9H-Purine-6-thiol, 2',3',5'-tributyrate?
The molecular formula of 9H-Purine-6-thiol, 2',3',5'-tributyrate is C22H30N4O7S.
What is the molecular weight of 9H-Purine-6-thiol, 2',3',5'-tributyrate?
The molecular weight of 9H-Purine-6-thiol, 2',3',5'-tributyrate is 494.18 g/mol.
Where can I buy 9H-Purine-6-thiol, 2',3',5'-tributyrate?
You can request a quote for 9H-Purine-6-thiol, 2',3',5'-tributyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-6-thiol, 2',3',5'-tributyrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-thiol, 2',3',5'-tributyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.