6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-
TL;DR: 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- (CAS 52212-81-4) is a chemical compound with molecular formula C7H6N4O3 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-7H-purin-3-yl) acetate
Also Known As: (6-oxo-7H-purin-3-yl) acetate, 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-, 3-(Acetyloxy)-3,7-dihydro-6H-purin-6-one, 6-Oxo-6,7-dihydro-3H-purin-3-yl acetate
| Molecular Formula | C7H6N4O3 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04399 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 52212-81-4 |
|---|---|
| SMILES | CC(=O)ON1C=NC(=O)C2=C1N=CN2 |
| InChIKey | IVHQDZGZFNHTJT-UHFFFAOYSA-N |
Product Overview
6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- (CAS 52212-81-4), with molecular formula C7H6N4O3 and molecular weight 194.04 g/mol. IUPAC: (6-oxo-7H-purin-3-yl) acetate.
Chemical Property Profile of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-
Property Insights of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-
The XLogP value of -0.2 indicates that 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-. Following Lipinski's Rule of Five, 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- has 1 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 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-?
The CAS number of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- is 52212-81-4.
What is the molecular formula of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-?
The molecular formula of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- is C7H6N4O3.
What is the molecular weight of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-?
The molecular weight of 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- is 194.04 g/mol.
Where can I buy 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-?
You can request a quote for 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Purin-6-one, 3-(acetyloxy)-3,7-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.