1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione (CAS 130421-70-4) is a chemical compound with molecular formula C16H26N4O2 and molecular weight 306.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-nonylpurine-2,6-dione
Also Known As: 7-nonyltheophylline, 1,3-dimethyl-7-nonylpurine-2,6-dione, 1,3-dimethyl-7-nonyl-purine-2,6-dione, 1,3-dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione, 1,3-dimethyl-7-nonyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H26N4O2 |
|---|---|
| Molecular Weight | 306.21 g/mol |
| LogP | 2.1843 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.20557 |
| Heavy Atoms | 22 |
| Complexity | 738.90936 |
Chemical Identifiers
| CAS Number | 130421-70-4 |
|---|---|
| SMILES | CCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione (CAS 130421-70-4), with molecular formula C16H26N4O2 and molecular weight 306.21 g/mol. IUPAC: 1,3-dimethyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 2.1843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione has 0 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 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione is 130421-70-4.
What is the molecular formula of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione is C16H26N4O2.
What is the molecular weight of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione is 306.21 g/mol.
Where can I buy 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-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 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-7-nonyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.