![3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid structure](/static/products/944/944697-55-6.png)
3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
TL;DR: 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid (CAS 944697-55-6) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid, 3-[[5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 4.1704 |
| Topological Polar Surface Area | 93.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1044.4282 |
Chemical Identifiers
| CAS Number | 944697-55-6 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)O |
Product Overview
3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid (CAS 944697-55-6), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: 3-[[5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
Property Insights of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
The XLogP value of 4.1704 indicates that 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid has 2 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 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The CAS number of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is 944697-55-6.
What is the molecular formula of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The molecular formula of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is C22H23N3O4S.
What is the molecular weight of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The molecular weight of 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is 425.14 g/mol.
Where can I buy 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
You can request a quote for 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]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 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-[[4-(Diethylamino)-2-hydroxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.