6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine
TL;DR: 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine (CAS 35845-67-1) is a chemical compound with molecular formula C12H13ClN4O3S and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
Also Known As: 6-chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine, 6-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
| Molecular Formula | C12H13ClN4O3S |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0397 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 35845-67-1 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=CC(C(O3)CO)O |
| InChIKey | NTPDZKQRJUIWON-UHFFFAOYSA-N |
Product Overview
6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine (CAS 35845-67-1), with molecular formula C12H13ClN4O3S and molecular weight 328.04 g/mol. IUPAC: 6-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol.
Chemical Property Profile of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine
Property Insights of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine. Following Lipinski's Rule of Five, 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine has 2 hydrogen bond donor(s) and 7 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 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine?
The CAS number of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine is 35845-67-1.
What is the molecular formula of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine?
The molecular formula of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine is C12H13ClN4O3S.
What is the molecular weight of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine?
The molecular weight of 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine is 328.04 g/mol.
Where can I buy 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine?
You can request a quote for 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-9-(2,3-dideoxyhex-2-enopyranosyl)-2-(methylsulfanyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.