KETOTIFEN FUMARATE
TL;DR: KETOTIFEN FUMARATE (CAS 34580-14-8) is a chemical compound with molecular formula C23H23NO5S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;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 FUMARATE, ketotifen, Ketotifen fumarate salt, (E)-but-2-enedioic acid,10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one, (E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.0^{3,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
| Molecular Formula | C23H23NO5S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 3.73 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.1297 |
| Heavy Atoms | 30 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 34580-14-8 |
|---|---|
| SMILES | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O |
| InChIKey | YNQQEYBLVYAWNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KETOTIFEN FUMARATE (CAS 34580-14-8), with molecular formula C23H23NO5S and molecular weight 425.13 g/mol. IUPAC: but-2-enedioic acid;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 KETOTIFEN FUMARATE
Property Insights of KETOTIFEN FUMARATE
The XLogP value of 3.73 indicates that KETOTIFEN FUMARATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KETOTIFEN FUMARATE. Following Lipinski's Rule of Five, KETOTIFEN FUMARATE has 2 hydrogen bond donor(s) and 7 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 KETOTIFEN FUMARATE?
The CAS number of KETOTIFEN FUMARATE is 34580-14-8.
What is the molecular formula of KETOTIFEN FUMARATE?
The molecular formula of KETOTIFEN FUMARATE is C23H23NO5S.
What is the molecular weight of KETOTIFEN FUMARATE?
The molecular weight of KETOTIFEN FUMARATE is 425.13 g/mol.
Where can I buy KETOTIFEN FUMARATE?
You can request a quote for KETOTIFEN FUMARATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KETOTIFEN FUMARATE?
Yes, KEHONG BIO provides custom synthesis services for KETOTIFEN FUMARATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.