3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one
TL;DR: 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one (CAS 51732-62-8) is a chemical compound with molecular formula C8H11N5O3 and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-1-methyl-6-oxo-2,7-dihydropurin-3-yl) acetate
Also Known As: 2-Amino-1-methyl-6-oxo-1H-purin-3(2H,6H,9H)-yl acetate, 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one, (2-amino-1-methyl-6-oxo-2,7-dihydropurin-3-yl) acetate, 2-amino-1-methyl-6-oxo-2,3,6,9-tetrahydro-1H-purin-3-yl acetate, 3- -2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one
| Molecular Formula | C8H11N5O3 |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.08618 |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 51732-62-8 |
|---|---|
| SMILES | CC(=O)ON1C(N(C(=O)C2=C1N=CN2)C)N |
| InChIKey | SLYHBXWHOPUQPV-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one (CAS 51732-62-8), with molecular formula C8H11N5O3 and molecular weight 225.09 g/mol. IUPAC: (2-amino-1-methyl-6-oxo-2,7-dihydropurin-3-yl) acetate.
Chemical Property Profile of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one
Property Insights of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one
The XLogP value of -0.5 indicates that 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one. Following Lipinski's Rule of Five, 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one 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 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one?
The CAS number of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one is 51732-62-8.
What is the molecular formula of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one?
The molecular formula of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one is C8H11N5O3.
What is the molecular weight of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one?
The molecular weight of 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one is 225.09 g/mol.
Where can I buy 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one?
You can request a quote for 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-2-amino-1,2,3,7-tetrahydro-1-methyl-6H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.