(E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
TL;DR: (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 304677-43-8) is a chemical compound with molecular formula C20H17ClN2O3S and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(2-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 4-{[(2E)-5-[(2-chlorophenyl)methyl]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 4-[[5-[(2-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic Acid, 4-{[(2E)-5-(2-chlorobenzyl)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 4-((3-Allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
| Molecular Formula | C20H17ClN2O3S |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 4.3984 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.06485 |
| Heavy Atoms | 27 |
| Complexity | 911.69775 |
Chemical Identifiers
| CAS Number | 304677-43-8 |
|---|---|
| SMILES | C=CCN1C(=O)C(SC1=NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3Cl |
Product Overview
(E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (CAS 304677-43-8), with molecular formula C20H17ClN2O3S and molecular weight 400.06 g/mol. IUPAC: 4-[[5-[(2-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
Property Insights of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid
The XLogP value of 4.3984 indicates that (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid 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 (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid. Following Lipinski's Rule of Five, (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid has 1 hydrogen bond donor(s) and 4 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 (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The CAS number of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 304677-43-8.
What is the molecular formula of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular formula of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is C20H17ClN2O3S.
What is the molecular weight of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
The molecular weight of (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid is 400.06 g/mol.
Where can I buy (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
You can request a quote for (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-allyl-5-(2-chlorobenzyl)-4-oxothiazolidin-2-ylidene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.