(6-Amino-9H-purin-8-yl)methyl acetate
TL;DR: (6-Amino-9H-purin-8-yl)methyl acetate (CAS 53130-86-2) is a chemical compound with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-7H-purin-8-yl)methyl acetate
Also Known As: (6-Amino-9H-purin-8-yl)methyl acetate, (6-amino-7H-purin-8-yl)methyl acetate, 1H-Purine-8-methanol,acetate (ester), 1H-Purine-8-methanol, acetate (ester), 1H-Purine-8-methanol, 6-amino-, acetate (ester)
| Molecular Formula | C8H9N5O2 |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.07562 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 53130-86-2 |
|---|---|
| SMILES | CC(=O)OCC1=NC2=NC=NC(=C2N1)N |
| InChIKey | ULXCKGMHUKQDJL-UHFFFAOYSA-N |
Product Overview
(6-Amino-9H-purin-8-yl)methyl acetate (CAS 53130-86-2), with molecular formula C8H9N5O2 and molecular weight 207.08 g/mol. IUPAC: (6-amino-7H-purin-8-yl)methyl acetate.
Chemical Property Profile of (6-Amino-9H-purin-8-yl)methyl acetate
Property Insights of (6-Amino-9H-purin-8-yl)methyl acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Amino-9H-purin-8-yl)methyl acetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Amino-9H-purin-8-yl)methyl acetate. Following Lipinski's Rule of Five, (6-Amino-9H-purin-8-yl)methyl acetate has 2 hydrogen bond donor(s) and 6 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-Amino-9H-purin-8-yl)methyl acetate?
The CAS number of (6-Amino-9H-purin-8-yl)methyl acetate is 53130-86-2.
What is the molecular formula of (6-Amino-9H-purin-8-yl)methyl acetate?
The molecular formula of (6-Amino-9H-purin-8-yl)methyl acetate is C8H9N5O2.
What is the molecular weight of (6-Amino-9H-purin-8-yl)methyl acetate?
The molecular weight of (6-Amino-9H-purin-8-yl)methyl acetate is 207.08 g/mol.
Where can I buy (6-Amino-9H-purin-8-yl)methyl acetate?
You can request a quote for (6-Amino-9H-purin-8-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 (6-Amino-9H-purin-8-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Amino-9H-purin-8-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.