AB00686149-01
TL;DR: AB00686149-01 (CAS 461689-64-5) is a chemical compound with molecular formula C20H18N2O5S2 and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methoxybenzamide
Also Known As: AB00686149-01, F1567-0081, N-[(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methoxybenzamide, (E)-N-(5-(3-ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-methoxybenzamide, N-(5-(3-Ethoxy-4-hydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-2-methoxybenzamide
| Molecular Formula | C20H18N2O5S2 |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 3.3457 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.0657 |
| Heavy Atoms | 29 |
| Complexity | 1006.11615 |
Chemical Identifiers
| CAS Number | 461689-64-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3OC)O |
Product Overview
AB00686149-01 (CAS 461689-64-5), with molecular formula C20H18N2O5S2 and molecular weight 430.07 g/mol. IUPAC: N-[(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methoxybenzamide.
Chemical Property Profile of AB00686149-01
Property Insights of AB00686149-01
The XLogP value of 3.3457 indicates that AB00686149-01 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 AB00686149-01. Following Lipinski's Rule of Five, AB00686149-01 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 AB00686149-01?
The CAS number of AB00686149-01 is 461689-64-5.
What is the molecular formula of AB00686149-01?
The molecular formula of AB00686149-01 is C20H18N2O5S2.
What is the molecular weight of AB00686149-01?
The molecular weight of AB00686149-01 is 430.07 g/mol.
Where can I buy AB00686149-01?
You can request a quote for AB00686149-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686149-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686149-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.