2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine
TL;DR: 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine (CAS 72149-27-0) is a chemical compound with molecular formula C18H16Cl2N4O7 and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-2-(1-acetyloxyprop-2-ynyl)-5-(2,6-dichloropurin-9-yl)oxolan-3-yl] acetate
Also Known As: 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine, [4-acetyloxy-2-(1-acetyloxyprop-2-ynyl)-5-(2,6-dichloropurin-9-yl)oxolan-3-yl] acetate
| Molecular Formula | C18H16Cl2N4O7 |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.0396 |
| Heavy Atoms | 31 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 72149-27-0 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC1C(C#C)OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)Cl)OC(=O)C |
| InChIKey | ZWARDOZVLUWMRZ-UHFFFAOYSA-N |
Product Overview
2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine (CAS 72149-27-0), with molecular formula C18H16Cl2N4O7 and molecular weight 470.04 g/mol. IUPAC: [4-acetyloxy-2-(1-acetyloxyprop-2-ynyl)-5-(2,6-dichloropurin-9-yl)oxolan-3-yl] acetate.
Chemical Property Profile of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine
Property Insights of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine. Following Lipinski's Rule of Five, 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine has 0 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 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine?
The CAS number of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine is 72149-27-0.
What is the molecular formula of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine?
The molecular formula of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine is C18H16Cl2N4O7.
What is the molecular weight of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine?
The molecular weight of 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine is 470.04 g/mol.
Where can I buy 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine?
You can request a quote for 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-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-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.