9,10-Dioxo Ketotifen
TL;DR: 9,10-Dioxo Ketotifen (CAS 43076-16-0) is a chemical compound with molecular formula C19H17NO2S and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8,9-dione
Also Known As: 9,10-Dioxo Ketotifen, Ketotifen Impurity G, Ketotifen EP Impurity G, Ketotifen impurity G CRS, 4-(1-Methylpiperidin-4-ylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione
| Molecular Formula | C19H17NO2S |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 323.098 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 43076-16-0 |
|---|---|
| SMILES | CN1CCC(=C2C3=C(C(=O)C(=O)C4=CC=CC=C42)SC=C3)CC1 |
| InChIKey | SEWPKRUDHMXTMH-UHFFFAOYSA-N |
Product Overview
9,10-Dioxo Ketotifen (CAS 43076-16-0), with molecular formula C19H17NO2S and molecular weight 323.10 g/mol. IUPAC: 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8,9-dione.
Chemical Property Profile of 9,10-Dioxo Ketotifen
Property Insights of 9,10-Dioxo Ketotifen
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dioxo Ketotifen. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dioxo Ketotifen. Following Lipinski's Rule of Five, 9,10-Dioxo Ketotifen has 0 hydrogen bond donor(s) and 4 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 9,10-Dioxo Ketotifen?
The CAS number of 9,10-Dioxo Ketotifen is 43076-16-0.
What is the molecular formula of 9,10-Dioxo Ketotifen?
The molecular formula of 9,10-Dioxo Ketotifen is C19H17NO2S.
What is the molecular weight of 9,10-Dioxo Ketotifen?
The molecular weight of 9,10-Dioxo Ketotifen is 323.10 g/mol.
Where can I buy 9,10-Dioxo Ketotifen?
You can request a quote for 9,10-Dioxo Ketotifen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dioxo Ketotifen?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dioxo Ketotifen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.