AB00686151-01
TL;DR: AB00686151-01 (CAS 865614-29-5) is a chemical compound with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: AB00686151-01, 4-ethoxy-N-[(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, F1567-0086, (E)-4-ethoxy-N-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, 4-Ethoxy-N-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
| Molecular Formula | C21H20N2O5S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 3.7358 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.08136 |
| Heavy Atoms | 30 |
| Complexity | 1004.95636 |
Chemical Identifiers
| CAS Number | 865614-29-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)O)OCC)/SC2=S |
Product Overview
AB00686151-01 (CAS 865614-29-5), with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol. IUPAC: 4-ethoxy-N-[(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of AB00686151-01
Property Insights of AB00686151-01
The XLogP value of 3.7358 indicates that AB00686151-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686151-01. Following Lipinski's Rule of Five, AB00686151-01 has 2 hydrogen bond donor(s) and 7 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 AB00686151-01?
The CAS number of AB00686151-01 is 865614-29-5.
What is the molecular formula of AB00686151-01?
The molecular formula of AB00686151-01 is C21H20N2O5S2.
What is the molecular weight of AB00686151-01?
The molecular weight of AB00686151-01 is 444.08 g/mol.
Where can I buy AB00686151-01?
You can request a quote for AB00686151-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686151-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686151-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.