2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine
TL;DR: 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine (CAS 603-23-6) is a chemical compound with molecular formula C19H22Cl2N4O7S and molecular weight 520.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-2-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyloxolan-2-yl]ethyl] acetate
Also Known As: 2,6-dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine, [2-Acetyloxy-1-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyl-oxolan-2-yl]ethyl] acetate, [2-Acetyloxy-1-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyl-oxolan-2-yl]ethyl]acetate, [2-acetyloxy-2-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyloxolan-2-yl]ethyl] acetate
| Molecular Formula | C19H22Cl2N4O7S |
|---|---|
| Molecular Weight | 520.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 520.05865 |
| Heavy Atoms | 33 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 603-23-6 |
|---|---|
| SMILES | CCSC1C(C(OC1N2C=NC3=C2N=C(N=C3Cl)Cl)C(COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | ZHGZDYNKUOXKLU-UHFFFAOYSA-N |
Product Overview
2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine (CAS 603-23-6), with molecular formula C19H22Cl2N4O7S and molecular weight 520.06 g/mol. IUPAC: [2-acetyloxy-2-[3-acetyloxy-5-(2,6-dichloropurin-9-yl)-4-ethylsulfanyloxolan-2-yl]ethyl] acetate.
Chemical Property Profile of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine
Property Insights of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine. The TPSA of 157.0 Ų indicates high polarity, suggesting 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine?
The CAS number of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine is 603-23-6.
What is the molecular formula of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine?
The molecular formula of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine is C19H22Cl2N4O7S.
What is the molecular weight of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine?
The molecular weight of 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine is 520.06 g/mol.
Where can I buy 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine?
You can request a quote for 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichloro-9-(3,5,6-tri-o-acetyl-2-s-ethyl-2-thiohexofuranosyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.