AN-698/40705464
TL;DR: AN-698/40705464 (CAS 449764-55-0) is a chemical compound with molecular formula C19H16N2O5S and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40705464, 3-{[(2E,5Z)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 3-((E)-((Z)-5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 3-{[5-(3-hydroxy-4-methoxybenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C19H16N2O5S |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 3.3328 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.078 |
| Heavy Atoms | 27 |
| Complexity | 983.81537 |
Chemical Identifiers
| CAS Number | 449764-55-0 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2)OC)O)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
AN-698/40705464 (CAS 449764-55-0), with molecular formula C19H16N2O5S and molecular weight 384.08 g/mol. IUPAC: 3-[[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40705464
Property Insights of AN-698/40705464
The XLogP value of 3.3328 indicates that AN-698/40705464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40705464. Following Lipinski's Rule of Five, AN-698/40705464 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 AN-698/40705464?
The CAS number of AN-698/40705464 is 449764-55-0.
What is the molecular formula of AN-698/40705464?
The molecular formula of AN-698/40705464 is C19H16N2O5S.
What is the molecular weight of AN-698/40705464?
The molecular weight of AN-698/40705464 is 384.08 g/mol.
Where can I buy AN-698/40705464?
You can request a quote for AN-698/40705464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40705464?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40705464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.