ChemDiv1_004229
TL;DR: ChemDiv1_004229 (CAS 292173-91-2) is a chemical compound with molecular formula C20H14F3NO5S2 and molecular weight 469.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: ChemDiv1_004229, BAS 13119484, {2-Methoxy-4-[4-oxo-2-thioxo-3-(3-trifluoromethyl-phenyl)-thiazolidin-5-ylidenemethyl]-phenoxy}-acetic acid, 2-[2-methoxy-4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid, 2-[2-methoxy-4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C20H14F3NO5S2 |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 4.5832 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.02655 |
| Heavy Atoms | 31 |
| Complexity | 1084.7252 |
Chemical Identifiers
| CAS Number | 292173-91-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F)OCC(=O)O |
Product Overview
ChemDiv1_004229 (CAS 292173-91-2), with molecular formula C20H14F3NO5S2 and molecular weight 469.03 g/mol. IUPAC: 2-[2-methoxy-4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of ChemDiv1_004229
Property Insights of ChemDiv1_004229
The XLogP value of 4.5832 indicates that ChemDiv1_004229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004229. Following Lipinski's Rule of Five, ChemDiv1_004229 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_004229?
The CAS number of ChemDiv1_004229 is 292173-91-2.
What is the molecular formula of ChemDiv1_004229?
The molecular formula of ChemDiv1_004229 is C20H14F3NO5S2.
What is the molecular weight of ChemDiv1_004229?
The molecular weight of ChemDiv1_004229 is 469.03 g/mol.
Where can I buy ChemDiv1_004229?
You can request a quote for ChemDiv1_004229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004229?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.