1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- (CAS 35873-43-9) is a chemical compound with molecular formula C14H22N4O2 and molecular weight 278.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: NCIOpen2_006828, 3,7-Dihydro-1,3-dimethyl-8-heptyl-1H-purine-2,6-dione, 8-heptyl-1,3-dimethyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-, 8-heptyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
| Molecular Formula | C14H22N4O2 |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.1743 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 35873-43-9 |
|---|---|
| SMILES | CCCCCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | IDRUVEWEPXUION-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- (CAS 35873-43-9), with molecular formula C14H22N4O2 and molecular weight 278.17 g/mol. IUPAC: 8-heptyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-
The XLogP value of 3.3 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- has 1 hydrogen bond donor(s) and 3 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- is 35873-43-9.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- is C14H22N4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- is 278.17 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.