AB00118870-01
TL;DR: AB00118870-01 (CAS 431979-95-2) is a chemical compound with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00118870-01, (5Z)-5-(3-ethoxy-2-hydroxybenzylidene)-3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(3-ethoxy-2-hydroxybenzylidene)-3-(3-pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C18H16N2O3S2 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 3.5873 |
| Topological Polar Surface Area | 62.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.06024 |
| Heavy Atoms | 25 |
| Complexity | 837.4697 |
Chemical Identifiers
| CAS Number | 431979-95-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1O)/C=C\2/C(=O)N(C(=S)S2)CC3=CN=CC=C3 |
Product Overview
AB00118870-01 (CAS 431979-95-2), with molecular formula C18H16N2O3S2 and molecular weight 372.06 g/mol. IUPAC: (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00118870-01
Property Insights of AB00118870-01
The XLogP value of 3.5873 indicates that AB00118870-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118870-01. Following Lipinski's Rule of Five, AB00118870-01 has 1 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 AB00118870-01?
The CAS number of AB00118870-01 is 431979-95-2.
What is the molecular formula of AB00118870-01?
The molecular formula of AB00118870-01 is C18H16N2O3S2.
What is the molecular weight of AB00118870-01?
The molecular weight of AB00118870-01 is 372.06 g/mol.
Where can I buy AB00118870-01?
You can request a quote for AB00118870-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118870-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118870-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.