AB00096403-01
TL;DR: AB00096403-01 (CAS 300559-23-3) 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.
N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-2-phenylacetamide
Also Known As: AB00096403-01, N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-2-phenylacetamide, (Z)-N-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)-2-phenylacetamide, N-[4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-2-phenylacetamide, N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-2-phenylacetamide
| Molecular Formula | C21H20N2O5S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 3.1875 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.08136 |
| Heavy Atoms | 30 |
| Complexity | 982.70636 |
Chemical Identifiers
| CAS Number | 300559-23-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3 |
Product Overview
AB00096403-01 (CAS 300559-23-3), with molecular formula C21H20N2O5S2 and molecular weight 444.08 g/mol. IUPAC: N-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-2-phenylacetamide.
Chemical Property Profile of AB00096403-01
Property Insights of AB00096403-01
The XLogP value of 3.1875 indicates that AB00096403-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096403-01. Following Lipinski's Rule of Five, AB00096403-01 has 1 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 AB00096403-01?
The CAS number of AB00096403-01 is 300559-23-3.
What is the molecular formula of AB00096403-01?
The molecular formula of AB00096403-01 is C21H20N2O5S2.
What is the molecular weight of AB00096403-01?
The molecular weight of AB00096403-01 is 444.08 g/mol.
Where can I buy AB00096403-01?
You can request a quote for AB00096403-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096403-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096403-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.