Theophylline, 7-isopentyl-
TL;DR: Theophylline, 7-isopentyl- (CAS 1146-79-8) 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-7-(3-methylbutyl)purine-2,6-dione
Also Known As: 7-Isoamyltheophylline, 7-Isopentyltheophylline, Theophylline, 7-isopentyl-, Etilfelmin hydrochloride, ChemDiv2_004603
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 1146-79-8 |
|---|---|
| SMILES | CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | SUXGNVXVBNEMKX-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-isopentyl- (CAS 1146-79-8), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of Theophylline, 7-isopentyl-
Property Insights of Theophylline, 7-isopentyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-isopentyl-. With a topological polar surface area (TPSA) of 58.4 Ų, Theophylline, 7-isopentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Theophylline, 7-isopentyl- 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 Theophylline, 7-isopentyl-?
The CAS number of Theophylline, 7-isopentyl- is 1146-79-8.
What is the molecular formula of Theophylline, 7-isopentyl-?
The molecular formula of Theophylline, 7-isopentyl- is C12H18N4O2.
What is the molecular weight of Theophylline, 7-isopentyl-?
The molecular weight of Theophylline, 7-isopentyl- is 250.14 g/mol.
Where can I buy Theophylline, 7-isopentyl-?
You can request a quote for Theophylline, 7-isopentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-isopentyl-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-isopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.