8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 52764-84-8) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-yl-1,3,7-trimethylpurine-2,6-dione
Also Known As: NCIOpen2_006995, 8-(butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-butan-2-yl-1,3,7-trimethylpurine-2,6-dione, 8-butan-2-yl-1,3,7-trimethyl-purine-2,6-dione, 8-(sec-Butyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 52764-84-8 |
|---|---|
| SMILES | CCC(C)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | UXKCIZQCJSQAQS-UHFFFAOYSA-N |
Product Overview
8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 52764-84-8), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 8-butan-2-yl-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione has 0 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 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is 52764-84-8.
What is the molecular formula of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is C12H18N4O2.
What is the molecular weight of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione is 250.14 g/mol.
Where can I buy 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-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 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Butan-2-yl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.