酮替芬
TL;DR: 酮替芬 (CAS 34580-13-7) is a chemical compound with molecular formula C19H19NOS and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酮替芬
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
Also Known As: ketotifen, Ketotifene, Ketotifeno, Zaditor, Ketotifenum
| Molecular Formula | C19H19NOS |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.11874 |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
| Melting Point | 304 to 152.8 °C |
| Solubility | Readily soluble |
| Vapor Pressure | 4.2X10-8 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 34580-13-7 |
|---|---|
| SMILES | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1 |
| InChIKey | ZCVMWBYGMWKGHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酮替芬 (CAS 34580-13-7), with molecular formula C19H19NOS and molecular weight 309.12 g/mol. IUPAC: 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one.
Chemical Property Profile of 酮替芬
Property Insights of 酮替芬
The XLogP value of 3.2 indicates that 酮替芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, 酮替芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 酮替芬 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 酮替芬?
The CAS number of 酮替芬 is 34580-13-7.
What is the molecular formula of 酮替芬?
The molecular formula of 酮替芬 is C19H19NOS.
What is the molecular weight of 酮替芬?
The molecular weight of 酮替芬 is 309.12 g/mol.
Where can I buy 酮替芬?
You can request a quote for 酮替芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酮替芬?
Yes, KEHONG BIO provides custom synthesis services for 酮替芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.