3-异丁基-1-甲基黄嘌呤
TL;DR: 3-异丁基-1-甲基黄嘌呤 (CAS 28822-58-4) is a chemical compound with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-异丁基-1-甲基黄嘌呤
1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: IBMX, 3-Isobutyl-1-methylxanthine, isobutylmethylxanthine, Methylisobutylxanthine, Isobutyltheophylline
| Molecular Formula | C10H14N4O2 |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.11168 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 28822-58-4 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChIKey | APIXJSLKIYYUKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-异丁基-1-甲基黄嘌呤 (CAS 28822-58-4), with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol. IUPAC: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of 3-异丁基-1-甲基黄嘌呤
Property Insights of 3-异丁基-1-甲基黄嘌呤
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-异丁基-1-甲基黄嘌呤. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-异丁基-1-甲基黄嘌呤. Following Lipinski's Rule of Five, 3-異丁基-1-甲基黃嘌呤 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 3-異丁基-1-甲基黃嘌呤?
The CAS number of 3-異丁基-1-甲基黃嘌呤 is 28822-58-4.
What is the molecular formula of 3-異丁基-1-甲基黃嘌呤?
The molecular formula of 3-異丁基-1-甲基黃嘌呤 is C10H14N4O2.
What is the molecular weight of 3-異丁基-1-甲基黃嘌呤?
The molecular weight of 3-異丁基-1-甲基黃嘌呤 is 222.11 g/mol.
Where can I buy 3-異丁基-1-甲基黃嘌呤?
You can request a quote for 3-異丁基-1-甲基黃嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-異丁基-1-甲基黃嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 3-異丁基-1-甲基黃嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.