Tioxaprofen
TL;DR: Tioxaprofen (CAS 40198-53-6) is a chemical compound with molecular formula C18H13Cl2NO3S and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
Also Known As: Tioxaprofen, Tioxaprofene, Tioxaprofeno, Tioxaprofenum, Tioxaprofenum [INN-Latin]
| Molecular Formula | C18H13Cl2NO3S |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.99933 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 40198-53-6 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
| InChIKey | WGDADRBTCPGSDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tioxaprofen (CAS 40198-53-6), with molecular formula C18H13Cl2NO3S and molecular weight 393.00 g/mol. IUPAC: 2-[[4,5-bis(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid.
Chemical Property Profile of Tioxaprofen
Property Insights of Tioxaprofen
The XLogP value of 5.8 indicates that Tioxaprofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tioxaprofen. Following Lipinski's Rule of Five, Tioxaprofen has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tioxaprofen?
The CAS number of Tioxaprofen is 40198-53-6.
What is the molecular formula of Tioxaprofen?
The molecular formula of Tioxaprofen is C18H13Cl2NO3S.
What is the molecular weight of Tioxaprofen?
The molecular weight of Tioxaprofen is 393.00 g/mol.
Where can I buy Tioxaprofen?
You can request a quote for Tioxaprofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tioxaprofen?
Yes, KEHONG BIO provides custom synthesis services for Tioxaprofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.