AB00114205-01
TL;DR: AB00114205-01 (CAS 431057-41-9) is a chemical compound with molecular formula C20H17FN2O5S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
Also Known As: AB00114205-01, 2-[(5Z)-5-(2,3-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-[5-(2,3-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-{5-[(2,3-dimethoxyphenyl)methylene]-2,4-dioxo(1,3-thiazolidin-3-yl)}-N-(2-fl uorophenyl)acetamide
| Molecular Formula | C20H17FN2O5S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 3.5179 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.08423 |
| Heavy Atoms | 29 |
| Complexity | 1008.11615 |
Chemical Identifiers
| CAS Number | 431057-41-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F |
Product Overview
AB00114205-01 (CAS 431057-41-9), with molecular formula C20H17FN2O5S and molecular weight 416.08 g/mol. IUPAC: 2-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of AB00114205-01
Property Insights of AB00114205-01
The XLogP value of 3.5179 indicates that AB00114205-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114205-01. Following Lipinski's Rule of Five, AB00114205-01 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 AB00114205-01?
The CAS number of AB00114205-01 is 431057-41-9.
What is the molecular formula of AB00114205-01?
The molecular formula of AB00114205-01 is C20H17FN2O5S.
What is the molecular weight of AB00114205-01?
The molecular weight of AB00114205-01 is 416.08 g/mol.
Where can I buy AB00114205-01?
You can request a quote for AB00114205-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114205-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114205-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.