C19H11ClF3NO4S2
TL;DR: C19H11ClF3NO4S2 (CAS 497082-13-0) is a chemical compound with molecular formula C19H11ClF3NO4S2 and molecular weight 472.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-2-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: (Z)-2-(4-chloro-2-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)phenoxy)acetic acid, 2-[4-chloro-2-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolan-5-yliden}methyl)phenoxy]acetic acid, {4-chloro-2-[(Z)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]phenoxy}acetic acid, 2-(4-CHLORO-2-{[(5Z)-4-OXO-2-SULFANYLIDENE-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)ACETIC ACID, 2-[4-chloro-2-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl](1,3-thiazolidin-5 -ylidene)}methyl)phenoxy]acetic acid
| Molecular Formula | C19H11ClF3NO4S2 |
|---|---|
| Molecular Weight | 472.98 g/mol |
| LogP | 5.228 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.97702 |
| Heavy Atoms | 30 |
| Complexity | 1071.9854 |
Chemical Identifiers
| CAS Number | 497082-13-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)O)/SC2=S)C(F)(F)F |
Product Overview
C19H11ClF3NO4S2 (CAS 497082-13-0), with molecular formula C19H11ClF3NO4S2 and molecular weight 472.98 g/mol. IUPAC: 2-[4-chloro-2-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of C19H11ClF3NO4S2
Property Insights of C19H11ClF3NO4S2
The XLogP value of 5.228 indicates that C19H11ClF3NO4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H11ClF3NO4S2. Following Lipinski's Rule of Five, C19H11ClF3NO4S2 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 C19H11ClF3NO4S2?
The CAS number of C19H11ClF3NO4S2 is 497082-13-0.
What is the molecular formula of C19H11ClF3NO4S2?
The molecular formula of C19H11ClF3NO4S2 is C19H11ClF3NO4S2.
What is the molecular weight of C19H11ClF3NO4S2?
The molecular weight of C19H11ClF3NO4S2 is 472.98 g/mol.
Where can I buy C19H11ClF3NO4S2?
You can request a quote for C19H11ClF3NO4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H11ClF3NO4S2?
Yes, KEHONG BIO provides custom synthesis services for C19H11ClF3NO4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.