他扎罗酸
TL;DR: 他扎罗酸 (CAS 118294-62-5) 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.
他扎罗酸
6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid
Also Known As: Tazarotenic acid, Agn 190299, Tazarotene acid, Tazarotenic, DDBEP
| Molecular Formula | C19H17NO2S |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.098 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 118294-62-5 |
|---|---|
| SMILES | CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C(=O)O)C |
| InChIKey | IQIBKLWBVJPOQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
他扎罗酸 (CAS 118294-62-5), with molecular formula C19H17NO2S and molecular weight 323.10 g/mol. IUPAC: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 他扎罗酸
Property Insights of 他扎罗酸
The XLogP value of 4.2 indicates that 他扎罗酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 他扎罗酸. Following Lipinski's Rule of Five, 他扎罗酸 has 1 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 他扎罗酸?
The CAS number of 他扎罗酸 is 118294-62-5.
What is the molecular formula of 他扎罗酸?
The molecular formula of 他扎罗酸 is C19H17NO2S.
What is the molecular weight of 他扎罗酸?
The molecular weight of 他扎罗酸 is 323.10 g/mol.
Where can I buy 他扎罗酸?
You can request a quote for 他扎罗酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 他扎罗酸?
Yes, KEHONG BIO provides custom synthesis services for 他扎罗酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.