8-Methoxymethyl-3-isobutyl-1-methylxanthine
TL;DR: 8-Methoxymethyl-3-isobutyl-1-methylxanthine (CAS 78033-08-6) is a chemical compound with molecular formula C12H18N4O3 and molecular weight 266.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: MMPX, 8-Methoxymethyl-IBMX, MI-methylxanthine, 8-methoxymethyl-3-isobutyl-1-methylxanthine, 8MM-IBMX
| Molecular Formula | C12H18N4O3 |
|---|---|
| Molecular Weight | 266.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.13788 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 78033-08-6 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC |
| InChIKey | NBLBCGUCPBXKOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Methoxymethyl-3-isobutyl-1-methylxanthine (CAS 78033-08-6), with molecular formula C12H18N4O3 and molecular weight 266.14 g/mol. IUPAC: 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of 8-Methoxymethyl-3-isobutyl-1-methylxanthine
Property Insights of 8-Methoxymethyl-3-isobutyl-1-methylxanthine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methoxymethyl-3-isobutyl-1-methylxanthine. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methoxymethyl-3-isobutyl-1-methylxanthine. Following Lipinski's Rule of Five, 8-Methoxymethyl-3-isobutyl-1-methylxanthine 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 8-Methoxymethyl-3-isobutyl-1-methylxanthine?
The CAS number of 8-Methoxymethyl-3-isobutyl-1-methylxanthine is 78033-08-6.
What is the molecular formula of 8-Methoxymethyl-3-isobutyl-1-methylxanthine?
The molecular formula of 8-Methoxymethyl-3-isobutyl-1-methylxanthine is C12H18N4O3.
What is the molecular weight of 8-Methoxymethyl-3-isobutyl-1-methylxanthine?
The molecular weight of 8-Methoxymethyl-3-isobutyl-1-methylxanthine is 266.14 g/mol.
Where can I buy 8-Methoxymethyl-3-isobutyl-1-methylxanthine?
You can request a quote for 8-Methoxymethyl-3-isobutyl-1-methylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methoxymethyl-3-isobutyl-1-methylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 8-Methoxymethyl-3-isobutyl-1-methylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.