3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione
TL;DR: 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione (CAS 10244-22-1) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione
Also Known As: Acetyl- Coffein, 3,7-Dimethyl-1-acetonylxanthine, 1-(2-Oxopropyl)-3,7-dimethylxanthine, 3,7-Dimethyl-1-(2-oxopropyl)xanthine, 3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 10244-22-1 |
|---|---|
| SMILES | CC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | NMMVOJOKARYAHF-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione (CAS 10244-22-1), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: 3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione.
Chemical Property Profile of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione
Property Insights of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione
The XLogP value of -0.3 indicates that 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione has 0 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 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione?
The CAS number of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione is 10244-22-1.
What is the molecular formula of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione?
The molecular formula of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione is C10H12N4O3.
What is the molecular weight of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione?
The molecular weight of 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione is 236.09 g/mol.
Where can I buy 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione?
You can request a quote for 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.