1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine
TL;DR: 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine (CAS 107767-55-5) is a chemical compound with molecular formula C13H20N4O3 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-hydroxy-5-methylhexyl)-3-methyl-7H-purine-2,6-dione
Also Known As: Albifylline, Albifylline [INN], Hwa 138, hwa138, 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine
| Molecular Formula | C13H20N4O3 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.15353 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 107767-55-5 |
|---|---|
| SMILES | CC(C)(CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O |
| InChIKey | NWXULHNEYYFVMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine (CAS 107767-55-5), with molecular formula C13H20N4O3 and molecular weight 280.15 g/mol. IUPAC: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine
Property Insights of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine. Following Lipinski's Rule of Five, 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine has 2 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-(5-Hydroxy-5-methylhexyl)-3-methylxanthine?
The CAS number of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine is 107767-55-5.
What is the molecular formula of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine?
The molecular formula of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine is C13H20N4O3.
What is the molecular weight of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine?
The molecular weight of 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine is 280.15 g/mol.
Where can I buy 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine?
You can request a quote for 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Hydroxy-5-methylhexyl)-3-methylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.