9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride
TL;DR: 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride (CAS 70661-74-4) is a chemical compound with molecular formula C8H11ClN4O2S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-dihydroxypropan-2-yl)-3H-purine-6-thione;hydrochloride
Also Known As: 2-(6-Mercaptopurinyl-9)-1,3-propanediol hydrochloride, 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride, 1,3-Propanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride, 9-(1,3-Dihydroxy-2-propyl)-9H-purine-6-thiol hydrochloride, 9H-Purine-9-(2-propane-1,3-diol), 6-mercapto-, hydrochloride
| Molecular Formula | C8H11ClN4O2S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 0.43639 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0291 |
| Heavy Atoms | 16 |
| Complexity | 521.97784 |
Chemical Identifiers
| CAS Number | 70661-74-4 |
|---|---|
| SMILES | C1=NC(=S)C2=C(N1)N(C=N2)C(CO)CO.Cl |
Product Overview
9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride (CAS 70661-74-4), with molecular formula C8H11ClN4O2S and molecular weight 262.03 g/mol. IUPAC: 9-(1,3-dihydroxypropan-2-yl)-3H-purine-6-thione;hydrochloride.
Chemical Property Profile of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride
Property Insights of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride
The XLogP value of 0.43639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride. Following Lipinski's Rule of Five, 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, 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 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride?
The CAS number of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride is 70661-74-4.
What is the molecular formula of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride?
The molecular formula of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride is C8H11ClN4O2S.
What is the molecular weight of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride?
The molecular weight of 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride is 262.03 g/mol.
Where can I buy 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride?
You can request a quote for 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride 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, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-6-thiol, 9-(1,3-dihydroxy-2-propyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.