AB00099977-01
TL;DR: AB00099977-01 (CAS 5873-95-0) 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.
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00099977-01, (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H18N2O5S2 |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 4.0559 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.0657 |
| Heavy Atoms | 29 |
| Complexity | 1006.11615 |
Chemical Identifiers
| CAS Number | 5873-95-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/SC2=S)OC |
Product Overview
AB00099977-01 (CAS 5873-95-0), with molecular formula C20H18N2O5S2 and molecular weight 430.07 g/mol. IUPAC: (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00099977-01
Property Insights of AB00099977-01
The XLogP value of 4.0559 indicates that AB00099977-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099977-01. Following Lipinski's Rule of Five, AB00099977-01 has 0 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 AB00099977-01?
The CAS number of AB00099977-01 is 5873-95-0.
What is the molecular formula of AB00099977-01?
The molecular formula of AB00099977-01 is C20H18N2O5S2.
What is the molecular weight of AB00099977-01?
The molecular weight of AB00099977-01 is 430.07 g/mol.
Where can I buy AB00099977-01?
You can request a quote for AB00099977-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099977-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099977-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.