1-Methyl-3-isobutyl-8-(methylamino)-xanthine
TL;DR: 1-Methyl-3-isobutyl-8-(methylamino)-xanthine (CAS 78033-10-0) is a chemical compound with molecular formula C11H17N5O2 and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-8-(methylamino)-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: 1-methyl-3-isobutyl-8-(methylamino)xanthine, 1-methyl-3-isobutyl-8-(methylamino )-xanthine, 1-methyl-8-methylamino-3-(2-methylpropyl)-7H-purine-2,6-dione
| Molecular Formula | C11H17N5O2 |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 0.121 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.13823 |
| Heavy Atoms | 18 |
| Complexity | 691.7471 |
Chemical Identifiers
| CAS Number | 78033-10-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC |
Product Overview
1-Methyl-3-isobutyl-8-(methylamino)-xanthine (CAS 78033-10-0), with molecular formula C11H17N5O2 and molecular weight 251.14 g/mol. IUPAC: 1-methyl-8-(methylamino)-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine
Property Insights of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine
The XLogP value of 0.121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-isobutyl-8-(methylamino)-xanthine. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-isobutyl-8-(methylamino)-xanthine. Following Lipinski's Rule of Five, 1-Methyl-3-isobutyl-8-(methylamino)-xanthine 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-Methyl-3-isobutyl-8-(methylamino)-xanthine?
The CAS number of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine is 78033-10-0.
What is the molecular formula of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine?
The molecular formula of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine is C11H17N5O2.
What is the molecular weight of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine?
The molecular weight of 1-Methyl-3-isobutyl-8-(methylamino)-xanthine is 251.14 g/mol.
Where can I buy 1-Methyl-3-isobutyl-8-(methylamino)-xanthine?
You can request a quote for 1-Methyl-3-isobutyl-8-(methylamino)-xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-isobutyl-8-(methylamino)-xanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-isobutyl-8-(methylamino)-xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.