AB00114954-01
TL;DR: AB00114954-01 (CAS 431075-10-4) is a chemical compound with molecular formula C20H17FN2O4S and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Also Known As: AB00114954-01, N-(2-fluorophenyl)-2-[(5Z)-5-(4-methoxy-3-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N-(2-fluorophenyl)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N-(2-fluorophenyl)-2-[5-(4-methoxy-3-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N~1~-(2-FLUOROPHENYL)-2-{5-[(Z)-1-(4-METHOXY-3-METHYLPHENYL)METHYLIDENE]-2,4-DIOXO-1,3-THIAZOLAN-3-YL}ACETAMIDE
| Molecular Formula | C20H17FN2O4S |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 3.81772 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0893 |
| Heavy Atoms | 28 |
| Complexity | 989.921 |
Chemical Identifiers
| CAS Number | 431075-10-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F)OC |
Product Overview
AB00114954-01 (CAS 431075-10-4), with molecular formula C20H17FN2O4S and molecular weight 400.09 g/mol. IUPAC: N-(2-fluorophenyl)-2-[(5Z)-5-[(4-methoxy-3-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of AB00114954-01
Property Insights of AB00114954-01
The XLogP value of 3.81772 indicates that AB00114954-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114954-01. Following Lipinski's Rule of Five, AB00114954-01 has 1 hydrogen bond donor(s) and 5 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 AB00114954-01?
The CAS number of AB00114954-01 is 431075-10-4.
What is the molecular formula of AB00114954-01?
The molecular formula of AB00114954-01 is C20H17FN2O4S.
What is the molecular weight of AB00114954-01?
The molecular weight of AB00114954-01 is 400.09 g/mol.
Where can I buy AB00114954-01?
You can request a quote for AB00114954-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114954-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114954-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.