Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester
TL;DR: Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester (CAS 94086-40-5) is a chemical compound with molecular formula C7H7N5O3 and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-6-oxo-7H-purin-3-yl) acetate
Also Known As: (2-amino-6-oxo-7H-purin-3-yl) Acetate, 2-Amino-6-oxo-6,9-dihydro-3H-purin-3-yl acetate, 3-(acetyloxy)-2-amino-3,7-dihydro-6h-purin-6-one, Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester, 3-(Acetyloxy)-2-imino-3,9-dihydro-2H-purin-6-ol
| Molecular Formula | C7H7N5O3 |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05489 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 94086-40-5 |
|---|---|
| SMILES | CC(=O)ON1C2=C(C(=O)N=C1N)NC=N2 |
| InChIKey | NLHBBFAETXJASX-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester (CAS 94086-40-5), with molecular formula C7H7N5O3 and molecular weight 209.05 g/mol. IUPAC: (2-amino-6-oxo-7H-purin-3-yl) acetate.
Chemical Property Profile of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester
Property Insights of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester
The XLogP value of -0.8 indicates that Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester. Following Lipinski's Rule of Five, Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester has 2 hydrogen bond donor(s) and 4 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 Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester?
The CAS number of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester is 94086-40-5.
What is the molecular formula of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester?
The molecular formula of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester is C7H7N5O3.
What is the molecular weight of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester?
The molecular weight of Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester is 209.05 g/mol.
Where can I buy Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester?
You can request a quote for Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-amino-6,9-dihydro-6-oxo-3H-purin-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.