AN-698/40705389
TL;DR: AN-698/40705389 (CAS 443872-02-4) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40705389, 3-((E)-((Z)-5-(4-(dimethylamino)benzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-({(2E,5Z)-5-[4-(dimethylamino)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid, 3-({5-[4-(dimethylamino)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid, 3-[[(5Z)-5-[(4-dimethylaminophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.6846 |
| Topological Polar Surface Area | 73.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 949.1992 |
Chemical Identifiers
| CAS Number | 443872-02-4 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
AN-698/40705389 (CAS 443872-02-4), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 3-[[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40705389
Property Insights of AN-698/40705389
The XLogP value of 3.6846 indicates that AN-698/40705389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40705389. Following Lipinski's Rule of Five, AN-698/40705389 has 1 hydrogen bond donor(s) and 5 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 AN-698/40705389?
The CAS number of AN-698/40705389 is 443872-02-4.
What is the molecular formula of AN-698/40705389?
The molecular formula of AN-698/40705389 is C20H19N3O3S.
What is the molecular weight of AN-698/40705389?
The molecular weight of AN-698/40705389 is 381.11 g/mol.
Where can I buy AN-698/40705389?
You can request a quote for AN-698/40705389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40705389?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40705389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.