3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine
TL;DR: 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine (CAS 134072-58-5) is a chemical compound with molecular formula C18H30N4O3 and molecular weight 350.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylpurine-2,6-dione
Also Known As: 3-ethyl-1-7-propylxanthine, 3-ethyl-1- -7-propylxanthine, 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine, A90 6119, A90-6119
| Molecular Formula | C18H30N4O3 |
|---|---|
| Molecular Weight | 350.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 350.23178 |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 134072-58-5 |
|---|---|
| SMILES | CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCC(C)(C)O |
| InChIKey | ATHCWQQQOOHNJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine (CAS 134072-58-5), with molecular formula C18H30N4O3 and molecular weight 350.23 g/mol. IUPAC: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylpurine-2,6-dione.
Chemical Property Profile of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine
Property Insights of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine. Following Lipinski's Rule of Five, 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine has 1 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-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine?
The CAS number of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine is 134072-58-5.
What is the molecular formula of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine?
The molecular formula of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine is C18H30N4O3.
What is the molecular weight of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine?
The molecular weight of 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine is 350.23 g/mol.
Where can I buy 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine?
You can request a quote for 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1-(6-hydroxy-6-methylheptyl)-7-propylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.