8-Butyltheophylline
TL;DR: 8-Butyltheophylline (CAS 35873-40-6) 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.
8-butyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Butyltheophylline, 8-Butyltheophyline, Theophylline, 8-butyl-, n-butyl theophylline, Xanthine, 8-butyl-1,3-dimethyl-
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 35873-40-6 |
|---|---|
| SMILES | CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | VPISOLDSBFMXDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Butyltheophylline (CAS 35873-40-6), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Butyltheophylline
Property Insights of 8-Butyltheophylline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Butyltheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Butyltheophylline. Following Lipinski's Rule of Five, 8-Butyltheophylline 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-Butyltheophylline?
The CAS number of 8-Butyltheophylline is 35873-40-6.
What is the molecular formula of 8-Butyltheophylline?
The molecular formula of 8-Butyltheophylline is C11H16N4O2.
What is the molecular weight of 8-Butyltheophylline?
The molecular weight of 8-Butyltheophylline is 236.13 g/mol.
Where can I buy 8-Butyltheophylline?
You can request a quote for 8-Butyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Butyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Butyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.