6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine
TL;DR: 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine (CAS 5987-73-5) is a chemical compound with molecular formula C16H17ClN4O7 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: 2',3',5'-O-triacetyl-6-chloroinosine, 2',3',5'-Tri-O-acetyl-6-chloronebularine, 2,3,5-Tri-O-acetyl-6-chloropurine-9-, A-D-ribofuranoside, 6-Chloro-9-(2,3,5-tri-O-acetyl-
| Molecular Formula | C16H17ClN4O7 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.07858 |
| Heavy Atoms | 28 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 5987-73-5 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3Cl)OC(=O)C)OC(=O)C |
| InChIKey | INOTYVPMBNDAFK-UHFFFAOYSA-N |
Product Overview
6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine (CAS 5987-73-5), with molecular formula C16H17ClN4O7 and molecular weight 412.08 g/mol. IUPAC: [3,4-diacetyloxy-5-(6-chloropurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine
Property Insights of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine. Following Lipinski's Rule of Five, 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-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 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine?
The CAS number of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine is 5987-73-5.
What is the molecular formula of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine?
The molecular formula of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine is C16H17ClN4O7.
What is the molecular weight of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine?
The molecular weight of 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine is 412.08 g/mol.
Where can I buy 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine?
You can request a quote for 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-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-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.