![[3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate structure](/static/products/799/79999-39-6.png)
[3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate
TL;DR: [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate (CAS 79999-39-6) is a chemical compound with molecular formula C16H18ClN5O7 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: 2',3',5-Tri-O-acetyl-2-chloroadenosine, [3,4-diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate, 2-Chloro-6-amino-9-(2',3',5'-tri-O-acetyl-I(2)-D-ribofuranosyl)purine, [3,4-diacetyloxy-5-(6-amino-2-chloro-purin-9-yl)oxolan-2-yl]methyl Acetate, 2-Chloro-6-amino-9-(2 inverted exclamation mark ,3 inverted exclamation mark ,5 inverted exclamation mark -tri-O-acetyl-
| Molecular Formula | C16H18ClN5O7 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 0.3858 |
| Topological Polar Surface Area | 157.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.08948 |
| Heavy Atoms | 29 |
| Complexity | 964.52686 |
Chemical Identifiers
| CAS Number | 79999-39-6 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)OC(=O)C)OC(=O)C |
Product Overview
[3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate (CAS 79999-39-6), with molecular formula C16H18ClN5O7 and molecular weight 427.09 g/mol. IUPAC: [3,4-diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate
Property Insights of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate
The XLogP value of 0.3858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate. The TPSA of 157.75 Ų indicates high polarity, suggesting [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate has 1 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 [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate?
The CAS number of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate is 79999-39-6.
What is the molecular formula of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate?
The molecular formula of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate is C16H18ClN5O7.
What is the molecular weight of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate?
The molecular weight of [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate is 427.09 g/mol.
Where can I buy [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate?
You can request a quote for [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-Diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.