Etofylline nicotinate
TL;DR: Etofylline nicotinate (CAS 13425-39-3) is a chemical compound with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate
Also Known As: Etofylline nicotinate, hesotin, hesotanol, Etofyllinenicotinate, ETHOPHYLLINE NICOTINATE
| Molecular Formula | C15H15N5O4 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1124 |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 13425-39-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CN=CC=C3 |
| InChIKey | ZWIAODBBEZGVPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etofylline nicotinate (CAS 13425-39-3), with molecular formula C15H15N5O4 and molecular weight 329.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate.
Chemical Property Profile of Etofylline nicotinate
Property Insights of Etofylline nicotinate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etofylline nicotinate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Etofylline nicotinate. Following Lipinski's Rule of Five, Etofylline nicotinate has 0 hydrogen bond donor(s) and 6 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 Etofylline nicotinate?
The CAS number of Etofylline nicotinate is 13425-39-3.
What is the molecular formula of Etofylline nicotinate?
The molecular formula of Etofylline nicotinate is C15H15N5O4.
What is the molecular weight of Etofylline nicotinate?
The molecular weight of Etofylline nicotinate is 329.11 g/mol.
Where can I buy Etofylline nicotinate?
You can request a quote for Etofylline nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etofylline nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Etofylline nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.