ChemDiv1_002332
TL;DR: ChemDiv1_002332 (CAS 5865-80-5) is a chemical compound with molecular formula C21H18F2N2O3S2 and molecular weight 448.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: ChemDiv1_002332, 4-[(3-allyl-5-{4-[(difluoromethyl)thio]benzyl}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid, 4-{[(2E)-5-{4-[(difluoromethyl)sulfanyl]benzyl}-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 4-[[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 4-[(5-{[4-(difluoromethylthio)phenyl]methyl}-4-oxo-3-prop-2-enyl-1,3-thiazolid in-2-ylidene)azamethyl]benzoic acid
| Molecular Formula | C21H18F2N2O3S2 |
|---|---|
| Molecular Weight | 448.07 g/mol |
| LogP | 5.0597 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.0727 |
| Heavy Atoms | 30 |
| Complexity | 963.2217 |
Chemical Identifiers
| CAS Number | 5865-80-5 |
|---|---|
| SMILES | C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)SC(F)F |
Product Overview
ChemDiv1_002332 (CAS 5865-80-5), with molecular formula C21H18F2N2O3S2 and molecular weight 448.07 g/mol. IUPAC: 4-[[5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002332
Property Insights of ChemDiv1_002332
The XLogP value of 5.0597 indicates that ChemDiv1_002332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002332. Following Lipinski's Rule of Five, ChemDiv1_002332 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 ChemDiv1_002332?
The CAS number of ChemDiv1_002332 is 5865-80-5.
What is the molecular formula of ChemDiv1_002332?
The molecular formula of ChemDiv1_002332 is C21H18F2N2O3S2.
What is the molecular weight of ChemDiv1_002332?
The molecular weight of ChemDiv1_002332 is 448.07 g/mol.
Where can I buy ChemDiv1_002332?
You can request a quote for ChemDiv1_002332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002332?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.