AB00686405-01
TL;DR: AB00686405-01 (CAS 868142-20-5) is a chemical compound with molecular formula C21H14N2O4S2 and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(4-acetylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00686405-01, F1691-2741, 1-acetyl-3-[(5Z)-3-(4-acetylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one, (Z)-5-(1-acetyl-2-oxoindolin-3-ylidene)-3-(4-acetylphenyl)-2-thioxothiazolidin-4-one, (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(4-acetylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C21H14N2O4S2 |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 3.5583 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.0395 |
| Heavy Atoms | 29 |
| Complexity | 1151.526 |
Chemical Identifiers
| CAS Number | 868142-20-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)C(=O)C)/SC2=S |
Product Overview
AB00686405-01 (CAS 868142-20-5), with molecular formula C21H14N2O4S2 and molecular weight 422.04 g/mol. IUPAC: (5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(4-acetylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00686405-01
Property Insights of AB00686405-01
The XLogP value of 3.5583 indicates that AB00686405-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686405-01. Following Lipinski's Rule of Five, AB00686405-01 has 0 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 AB00686405-01?
The CAS number of AB00686405-01 is 868142-20-5.
What is the molecular formula of AB00686405-01?
The molecular formula of AB00686405-01 is C21H14N2O4S2.
What is the molecular weight of AB00686405-01?
The molecular weight of AB00686405-01 is 422.04 g/mol.
Where can I buy AB00686405-01?
You can request a quote for AB00686405-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686405-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686405-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.