7-Hexyl-3-Methylxanthine
TL;DR: 7-Hexyl-3-Methylxanthine (CAS 55242-65-4) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-3-methylpurine-2,6-dione
Also Known As: 7-Hexyl-3-Methylxanthine, 7-hexyl-3-methylpurine-2,6-dione, 7-hexyl-3-methyl-purine-2,6-dione, 7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-Hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.0036 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 650.12164 |
Chemical Identifiers
| CAS Number | 55242-65-4 |
|---|---|
| SMILES | CCCCCCN1C=NC2=C1C(=O)NC(=O)N2C |
Product Overview
7-Hexyl-3-Methylxanthine (CAS 55242-65-4), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Hexyl-3-Methylxanthine
Property Insights of 7-Hexyl-3-Methylxanthine
The XLogP value of 1.0036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hexyl-3-Methylxanthine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hexyl-3-Methylxanthine. Following Lipinski's Rule of Five, 7-Hexyl-3-Methylxanthine 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 7-Hexyl-3-Methylxanthine?
The CAS number of 7-Hexyl-3-Methylxanthine is 55242-65-4.
What is the molecular formula of 7-Hexyl-3-Methylxanthine?
The molecular formula of 7-Hexyl-3-Methylxanthine is C12H18N4O2.
What is the molecular weight of 7-Hexyl-3-Methylxanthine?
The molecular weight of 7-Hexyl-3-Methylxanthine is 250.14 g/mol.
Where can I buy 7-Hexyl-3-Methylxanthine?
You can request a quote for 7-Hexyl-3-Methylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hexyl-3-Methylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 7-Hexyl-3-Methylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.