7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
TL;DR: 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 1021-65-4) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Butyltheophylline, Doxofylline Impurity 16, Theophylline, 7-butyl-, Doxofylline Impurity 20, 7-Butyl-1,3-dimethylxanthine
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 1021-65-4 |
|---|---|
| SMILES | CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | CPRWWXKLQNLTSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (CAS 1021-65-4), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 7-butyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Property Insights of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Butyl-3,7-dihydro-1,3-dimethyl-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 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The CAS number of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 1021-65-4.
What is the molecular formula of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular formula of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is C11H16N4O2.
What is the molecular weight of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
The molecular weight of 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione is 236.13 g/mol.
Where can I buy 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
You can request a quote for 7-Butyl-3,7-dihydro-1,3-dimethyl-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 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.