8-Cyclobutyltheophylline
TL;DR: 8-Cyclobutyltheophylline (CAS 35873-48-4) is a chemical compound with molecular formula C11H14N4O2 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclobutyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Cyclobutyltheophylline, 8-Cyclobutyl theophylline, Theophylline, 8-cyclobutyl-, NCIOpen2_007035, Xanthine, 3-cyclobutyl-1,3-dimethyl-
| Molecular Formula | C11H14N4O2 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.11168 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 35873-48-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCC3 |
| InChIKey | OBURDMXZDVFAKK-UHFFFAOYSA-N |
Product Overview
8-Cyclobutyltheophylline (CAS 35873-48-4), with molecular formula C11H14N4O2 and molecular weight 234.11 g/mol. IUPAC: 8-cyclobutyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Cyclobutyltheophylline
Property Insights of 8-Cyclobutyltheophylline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Cyclobutyltheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Cyclobutyltheophylline. Following Lipinski's Rule of Five, 8-Cyclobutyltheophylline 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 8-Cyclobutyltheophylline?
The CAS number of 8-Cyclobutyltheophylline is 35873-48-4.
What is the molecular formula of 8-Cyclobutyltheophylline?
The molecular formula of 8-Cyclobutyltheophylline is C11H14N4O2.
What is the molecular weight of 8-Cyclobutyltheophylline?
The molecular weight of 8-Cyclobutyltheophylline is 234.11 g/mol.
Where can I buy 8-Cyclobutyltheophylline?
You can request a quote for 8-Cyclobutyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Cyclobutyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Cyclobutyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.