2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine
TL;DR: 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine (CAS 5987-77-9) is a chemical compound with molecular formula C16H15Cl3N4O7 and molecular weight 480.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(2,6,8-trichloropurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: 2,6,8-trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine, (1R)-Tri-O-acetyl-1-(2,6,8-trichlor-purin-9-yl)-D-1,4-anhydro-ribit, [3,4-diacetyloxy-5-(2,6,8-trichloropurin-9-yl)oxolan-2-yl]methyl acetate, 3-(3-pyridin-3-yl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl)pyridine
| Molecular Formula | C16H15Cl3N4O7 |
|---|---|
| Molecular Weight | 480.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.00064 |
| Heavy Atoms | 30 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 5987-77-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC(=N3)Cl)Cl)N=C2Cl)OC(=O)C)OC(=O)C |
| InChIKey | YLKMRQLYWKOMDL-UHFFFAOYSA-N |
Product Overview
2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine (CAS 5987-77-9), with molecular formula C16H15Cl3N4O7 and molecular weight 480.00 g/mol. IUPAC: [3,4-diacetyloxy-5-(2,6,8-trichloropurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine
Property Insights of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine. Following Lipinski's Rule of Five, 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-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 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine?
The CAS number of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine is 5987-77-9.
What is the molecular formula of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine?
The molecular formula of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine is C16H15Cl3N4O7.
What is the molecular weight of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine?
The molecular weight of 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine is 480.00 g/mol.
Where can I buy 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine?
You can request a quote for 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 2,6,8-Trichloro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.