9H-Purine-6(1H)-thione, 2',3',5'-tributyrate
TL;DR: 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate (CAS 7764-78-5) is a chemical compound with molecular formula C22H31N5O7S and molecular weight 509.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate
Also Known As: KC 1260, 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate, 9H-Purine-6-thiol, 2',3',5'-tributyrate, 9H-Purine-6(1H)-thione, 9-.beta.-D-ribofuranosyl-, 2',3',5'-tributyrate, 2-Amino-9-(2,3,5-tri-O-butanoylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C22H31N5O7S |
|---|---|
| Molecular Weight | 509.19 g/mol |
| LogP | 2.73559 |
| Topological Polar Surface Area | 160.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 509.19443 |
| Heavy Atoms | 35 |
| Complexity | 1117.295 |
Chemical Identifiers
| CAS Number | 7764-78-5 |
|---|---|
| SMILES | CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCC)OC(=O)CCC |
Product Overview
9H-Purine-6(1H)-thione, 2',3',5'-tributyrate (CAS 7764-78-5), with molecular formula C22H31N5O7S and molecular weight 509.19 g/mol. IUPAC: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate.
Chemical Property Profile of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate
Property Insights of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate
The XLogP value of 2.73559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate. The TPSA of 160.65 Ų indicates high polarity, suggesting 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate?
The CAS number of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate is 7764-78-5.
What is the molecular formula of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate?
The molecular formula of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate is C22H31N5O7S.
What is the molecular weight of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate?
The molecular weight of 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate is 509.19 g/mol.
Where can I buy 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate?
You can request a quote for 9H-Purine-6(1H)-thione, 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(1H)-thione, 2',3',5'-tributyrate?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6(1H)-thione, 2',3',5'-tributyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.