3-butan-2-yl-1-methyl-7H-purine-2,6-dione
TL;DR: 3-butan-2-yl-1-methyl-7H-purine-2,6-dione (CAS 90162-65-5) 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-butan-2-yl-1-methyl-7H-purine-2,6-dione
Also Known As: 3-butan-2-yl-1-methyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione,3,7-dihydro-1-methyl-3-(1-methylpropyl), 3-(Butan-2-yl)-1-methyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(1-methylpropyl)-
| Molecular Formula | C10H14N4O2 |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | 1.3 |
| 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 | 320.0 |
Chemical Identifiers
| CAS Number | 90162-65-5 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChIKey | WKOBRQSLXGMNJZ-UHFFFAOYSA-N |
Product Overview
3-butan-2-yl-1-methyl-7H-purine-2,6-dione (CAS 90162-65-5), with molecular formula C10H14N4O2 and molecular weight 222.11 g/mol. IUPAC: 3-butan-2-yl-1-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione
Property Insights of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-butan-2-yl-1-methyl-7H-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butan-2-yl-1-methyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-butan-2-yl-1-methyl-7H-purine-2,6-dione 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-butan-2-yl-1-methyl-7H-purine-2,6-dione?
The CAS number of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione is 90162-65-5.
What is the molecular formula of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione?
The molecular formula of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione is C10H14N4O2.
What is the molecular weight of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione?
The molecular weight of 3-butan-2-yl-1-methyl-7H-purine-2,6-dione is 222.11 g/mol.
Where can I buy 3-butan-2-yl-1-methyl-7H-purine-2,6-dione?
You can request a quote for 3-butan-2-yl-1-methyl-7H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-butan-2-yl-1-methyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-butan-2-yl-1-methyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.