1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- (CAS 53607-17-3) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7H-purine-2,6-dione
Also Known As: 3-Butylxanthine, 3-n-Butylxanthine, 3-butyl-7H-purine-2,6-dione, 3-butyl-3,7-dihydro-1h-purine-2,6-dione, 3,7-Dihydro-3-butyl-1H-purine-2,6-dione
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 53607-17-3 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)NC1=O)NC=N2 |
| InChIKey | RDIDOICNEQWODO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- (CAS 53607-17-3), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 3-butyl-7H-purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- has 2 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 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- is 53607-17-3.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- is C9H12N4O2.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- is 208.10 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- 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-3-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.