9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine
TL;DR: 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine (CAS 126502-10-1) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Also Known As: 6-Mercapto-ddP, TPDDR, dd6MP, 6-SH-ddP, 2',3'-Dideoxy-6-thio-inosine
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.15879 |
| Topological Polar Surface Area | 75.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 593.2486 |
Chemical Identifiers
| CAS Number | 126502-10-1 |
|---|---|
| SMILES | C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=S |
Product Overview
9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine (CAS 126502-10-1), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione.
Chemical Property Profile of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine
Property Insights of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine
The XLogP value of 1.15879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine. The TPSA of 75.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine. Following Lipinski's Rule of Five, 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine has 2 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 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine?
The CAS number of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine is 126502-10-1.
What is the molecular formula of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine?
The molecular formula of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine is C10H12N4O2S.
What is the molecular weight of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine?
The molecular weight of 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine is 252.07 g/mol.
Where can I buy 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine?
You can request a quote for 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-mercaptopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.