9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
TL;DR: 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine (CAS 15435-66-2) is a chemical compound with molecular formula C17H19N5O3S and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-ol
Also Known As: 9-(3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine, 2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-ol
| Molecular Formula | C17H19N5O3S |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.12085 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 15435-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2C(OC(C2O)N3C=NC4=C(N=CN=C43)N)CO |
| InChIKey | LAYLBSISAUBFDP-UHFFFAOYSA-N |
Product Overview
9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine (CAS 15435-66-2), with molecular formula C17H19N5O3S and molecular weight 373.12 g/mol. IUPAC: 2-(6-aminopurin-9-yl)-4-benzylsulfanyl-5-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
Property Insights of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine. The TPSA of 145.0 Ų indicates high polarity, suggesting 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine has 3 hydrogen bond donor(s) and 8 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-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
The CAS number of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine is 15435-66-2.
What is the molecular formula of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
The molecular formula of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine is C17H19N5O3S.
What is the molecular weight of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
The molecular weight of 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine is 373.12 g/mol.
Where can I buy 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
You can request a quote for 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-s-Benzyl-3-thiopentofuranosyl)-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.