1-(6'-Oxoheptyl)-3,7-dimethylxanthine
TL;DR: 1-(6'-Oxoheptyl)-3,7-dimethylxanthine (CAS 10226-59-2) is a chemical compound with molecular formula C14H20N4O3 and molecular weight 292.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1-(6-oxoheptyl)purine-2,6-dione
Also Known As: 1-(6'-oxoheptyl)-3,7-dimethylxanthine, 1-(6-oxoheptyl)-3,7-dimethylxanthine, 3,7-dimethyl-1-(6-oxoheptyl)purine-2,6-dione, 3,7-Dimethyl-1-(6-oxoheptyl)-3,7-dihydro-1H-purine-2,6-dione, 3,7-Dimethyl-1-(6-oxo-heptyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C14H20N4O3 |
|---|---|
| Molecular Weight | 292.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.15353 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 10226-59-2 |
|---|---|
| SMILES | CC(=O)CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | AFYDQCTVFDKATD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(6'-Oxoheptyl)-3,7-dimethylxanthine (CAS 10226-59-2), with molecular formula C14H20N4O3 and molecular weight 292.15 g/mol. IUPAC: 3,7-dimethyl-1-(6-oxoheptyl)purine-2,6-dione.
Chemical Property Profile of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine
Property Insights of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6'-Oxoheptyl)-3,7-dimethylxanthine. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6'-Oxoheptyl)-3,7-dimethylxanthine. Following Lipinski's Rule of Five, 1-(6'-Oxoheptyl)-3,7-dimethylxanthine 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 1-(6'-Oxoheptyl)-3,7-dimethylxanthine?
The CAS number of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine is 10226-59-2.
What is the molecular formula of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine?
The molecular formula of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine is C14H20N4O3.
What is the molecular weight of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine?
The molecular weight of 1-(6'-Oxoheptyl)-3,7-dimethylxanthine is 292.15 g/mol.
Where can I buy 1-(6'-Oxoheptyl)-3,7-dimethylxanthine?
You can request a quote for 1-(6'-Oxoheptyl)-3,7-dimethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6'-Oxoheptyl)-3,7-dimethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(6'-Oxoheptyl)-3,7-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.