1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride
TL;DR: 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride (CAS 70661-73-3) is a chemical compound with molecular formula C9H13ClN4O2S and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,4-dihydroxybutan-2-yl)-3H-purine-6-thione;hydrochloride
Also Known As: 9- -9H-purine-6-thiolhydrochloride, 2-(6-Mercaptopurinyl-9)-1,4-butanediol hydrochloride, 9-(1,4-Dihydroxy-2-butyl)-9H-purine-6-thiol hydrochloride, 9H-Purine-6-thiol, 9-(1,4-dihydroxy-2-butyl)-, hydrochloride, 9H-Purine-9-(2-butane-1,4-diol), 6-mercapto-, hydrochloride
| Molecular Formula | C9H13ClN4O2S |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 0.82649 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.04477 |
| Heavy Atoms | 17 |
| Complexity | 541.0205 |
Chemical Identifiers
| CAS Number | 70661-73-3 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)C(CCO)CO.Cl |
Product Overview
1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride (CAS 70661-73-3), with molecular formula C9H13ClN4O2S and molecular weight 276.04 g/mol. IUPAC: 9-(1,4-dihydroxybutan-2-yl)-3H-purine-6-thione;hydrochloride.
Chemical Property Profile of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride
Property Insights of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride
The XLogP value of 0.82649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride. Following Lipinski's Rule of Five, 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride has 3 hydrogen bond donor(s) and 5 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 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride?
The CAS number of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride is 70661-73-3.
What is the molecular formula of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride?
The molecular formula of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride is C9H13ClN4O2S.
What is the molecular weight of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride?
The molecular weight of 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride is 276.04 g/mol.
Where can I buy 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride?
You can request a quote for 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.