他扎罗汀
TL;DR: 他扎罗汀 (CAS 118292-40-3) is a chemical compound with molecular formula C21H21NO2S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
他扎罗汀
ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate
Also Known As: tazarotene, Tazorac, Zorac, Avage, Fabior
| Molecular Formula | C21H21NO2S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1293 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 118292-40-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C |
| InChIKey | OGQICQVSFDPSEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
他扎罗汀 (CAS 118292-40-3), with molecular formula C21H21NO2S and molecular weight 351.13 g/mol. IUPAC: ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate.
Chemical Property Profile of 他扎罗汀
Property Insights of 他扎罗汀
The XLogP value of 4.9 indicates that 他扎罗汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 他扎罗汀. Following Lipinski's Rule of Five, 他扎罗汀 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 他扎罗汀?
The CAS number of 他扎罗汀 is 118292-40-3.
What is the molecular formula of 他扎罗汀?
The molecular formula of 他扎罗汀 is C21H21NO2S.
What is the molecular weight of 他扎罗汀?
The molecular weight of 他扎罗汀 is 351.13 g/mol.
Where can I buy 他扎罗汀?
You can request a quote for 他扎罗汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 他扎罗汀?
Yes, KEHONG BIO provides custom synthesis services for 他扎罗汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.