9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
TL;DR: 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine (CAS 133040-68-3) is a chemical compound with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzylsulfanyloxolan-2-yl]methyl acetate
Also Known As: 9-(2,5-di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine, [4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzylsulfanyloxolan-2-yl]methyl acetate
| Molecular Formula | C21H23N5O5S |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.142 |
| Heavy Atoms | 32 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 133040-68-3 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C)SCC4=CC=CC=C4 |
| InChIKey | NDALZDDOXXWUGQ-UHFFFAOYSA-N |
Product Overview
9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine (CAS 133040-68-3), with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol. IUPAC: [4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzylsulfanyloxolan-2-yl]methyl acetate.
Chemical Property Profile of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
Property Insights of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine. The TPSA of 157.0 Ų indicates high polarity, suggesting 9-(2,5-Di-o-acetyl-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-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine 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 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
The CAS number of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine is 133040-68-3.
What is the molecular formula of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
The molecular formula of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine is C21H23N5O5S.
What is the molecular weight of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
The molecular weight of 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine is 457.14 g/mol.
Where can I buy 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
You can request a quote for 9-(2,5-Di-o-acetyl-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-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2,5-Di-o-acetyl-3-s-benzyl-3-thiopentofuranosyl)-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.