替宁酸
TL;DR: 替宁酸 (CAS 40180-04-9) is a chemical compound with molecular formula C13H8Cl2O4S and molecular weight 329.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替宁酸
2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid
Also Known As: Ticrynafen, Tienilic acid, Thienylic acid, Selacryn, Diflurex
| Molecular Formula | C13H8Cl2O4S |
|---|---|
| Molecular Weight | 329.95 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.95203 |
| Heavy Atoms | 20 |
| Complexity | 379.0 |
| Melting Point | 149 |
Chemical Identifiers
| CAS Number | 40180-04-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl |
| InChIKey | AGHANLSBXUWXTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
替宁酸 (CAS 40180-04-9), with molecular formula C13H8Cl2O4S and molecular weight 329.95 g/mol. IUPAC: 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid.
Chemical Property Profile of 替宁酸
Property Insights of 替宁酸
The XLogP value of 4.1 indicates that 替宁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 替宁酸. Following Lipinski's Rule of Five, 替宁酸 has 1 hydrogen bond donor(s) and 5 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 替宁酸?
The CAS number of 替宁酸 is 40180-04-9.
What is the molecular formula of 替宁酸?
The molecular formula of 替宁酸 is C13H8Cl2O4S.
What is the molecular weight of 替宁酸?
The molecular weight of 替宁酸 is 329.95 g/mol.
Where can I buy 替宁酸?
You can request a quote for 替宁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替宁酸?
Yes, KEHONG BIO provides custom synthesis services for 替宁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.