8-Pentyltheophylline
TL;DR: 8-Pentyltheophylline (CAS 35873-41-7) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-pentyl-7H-purine-2,6-dione
Also Known As: 8-Pentyltheophylline, 8-pentyl-theophylline, 8-Pentyltheophyline, Theophylline, 8-pentyl-, Xanthine, 1,3-dimethyl-8-pentyl-
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 35873-41-7 |
|---|---|
| SMILES | CCCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | KRQCFJVRGKISQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Pentyltheophylline (CAS 35873-41-7), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 1,3-dimethyl-8-pentyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Pentyltheophylline
Property Insights of 8-Pentyltheophylline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Pentyltheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Pentyltheophylline. Following Lipinski's Rule of Five, 8-Pentyltheophylline 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-Pentyltheophylline?
The CAS number of 8-Pentyltheophylline is 35873-41-7.
What is the molecular formula of 8-Pentyltheophylline?
The molecular formula of 8-Pentyltheophylline is C12H18N4O2.
What is the molecular weight of 8-Pentyltheophylline?
The molecular weight of 8-Pentyltheophylline is 250.14 g/mol.
Where can I buy 8-Pentyltheophylline?
You can request a quote for 8-Pentyltheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Pentyltheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Pentyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.