4E2RCat
TL;DR: 4E2RCat (CAS 432499-63-3) is a chemical compound with molecular formula C22H14ClNO4S2 and molecular weight 455.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
Also Known As: 4E2RCat, 5-(5-((3-Benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)-2-chlorobenzoic acid, 5-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid, 5-(5-{[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid, 5-[5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid
| Molecular Formula | C22H14ClNO4S2 |
|---|---|
| Molecular Weight | 455.01 g/mol |
| LogP | 5.6996 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.00528 |
| Heavy Atoms | 30 |
| Complexity | 1186.858 |
Chemical Identifiers
| CAS Number | 432499-63-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)SC2=S |
Product Overview
4E2RCat (CAS 432499-63-3), with molecular formula C22H14ClNO4S2 and molecular weight 455.01 g/mol. IUPAC: 5-[5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoic acid.
Chemical Property Profile of 4E2RCat
Property Insights of 4E2RCat
The XLogP value of 5.6996 indicates that 4E2RCat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4E2RCat. Following Lipinski's Rule of Five, 4E2RCat 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 4E2RCat?
The CAS number of 4E2RCat is 432499-63-3.
What is the molecular formula of 4E2RCat?
The molecular formula of 4E2RCat is C22H14ClNO4S2.
What is the molecular weight of 4E2RCat?
The molecular weight of 4E2RCat is 455.01 g/mol.
Where can I buy 4E2RCat?
You can request a quote for 4E2RCat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4E2RCat?
Yes, KEHONG BIO provides custom synthesis services for 4E2RCat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.