1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- (CAS 57076-63-8) is a chemical compound with molecular formula C17H26N4O3 and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibutyl-7-(3-oxobutyl)purine-2,6-dione
Also Known As: 2-butanesulphonylbenzoic acid, 7-(3-Oxobutyl)-1,3-di-n-butylxanthine, 1,3-dibutyl-7-(3-oxobutyl)purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-, 3,7-Dihydro-1,3-dibutyl-7-(3-oxobutyl)-1H-purine-2,6-dione
| Molecular Formula | C17H26N4O3 |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 1.939 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.2005 |
| Heavy Atoms | 24 |
| Complexity | 828.69885 |
Chemical Identifiers
| CAS Number | 57076-63-8 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CCC(=O)C |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- (CAS 57076-63-8), with molecular formula C17H26N4O3 and molecular weight 334.20 g/mol. IUPAC: 1,3-dibutyl-7-(3-oxobutyl)purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-
The XLogP value of 1.939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- has 0 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 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- is 57076-63-8.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- is C17H26N4O3.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- is 334.20 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.