AN-698/40705429
TL;DR: AN-698/40705429 (CAS 443877-92-7) is a chemical compound with molecular formula C21H16N2O4S and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40705429, 4-({3-methyl-4-oxo-5-[4-(2-propynyloxy)benzylidene]-1,3-thiazolidin-2-ylidene}amino)benzoic acid, 4-((E)-((Z)-3-methyl-4-oxo-5-(4-(prop-2-yn-1-yloxy)benzylidene)thiazolidin-2-ylidene)amino)benzoic acid, 4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 4-({(2E,5Z)-3-methyl-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}amino)benzoic acid
| Molecular Formula | C21H16N2O4S |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 3.6306 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.08307 |
| Heavy Atoms | 28 |
| Complexity | 1002.1962 |
Chemical Identifiers
| CAS Number | 443877-92-7 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(C=C2)OCC#C)/SC1=NC3=CC=C(C=C3)C(=O)O |
Product Overview
AN-698/40705429 (CAS 443877-92-7), with molecular formula C21H16N2O4S and molecular weight 392.08 g/mol. IUPAC: 4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40705429
Property Insights of AN-698/40705429
The XLogP value of 3.6306 indicates that AN-698/40705429 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40705429. Following Lipinski's Rule of Five, AN-698/40705429 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-698/40705429?
The CAS number of AN-698/40705429 is 443877-92-7.
What is the molecular formula of AN-698/40705429?
The molecular formula of AN-698/40705429 is C21H16N2O4S.
What is the molecular weight of AN-698/40705429?
The molecular weight of AN-698/40705429 is 392.08 g/mol.
Where can I buy AN-698/40705429?
You can request a quote for AN-698/40705429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40705429?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40705429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.