![4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester structure](/static/products/866/866149-24-8.png)
4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
TL;DR: 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester (CAS 866149-24-8) is a chemical compound with molecular formula C12H9FN2O2S and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-thiazol-2-yl)ethylideneamino] 4-fluorobenzoate
Also Known As: ML114 Analog, 2-{[(4-fluorobenzoyl)oxy]ethanimidoyl}-1,3-thiazole, [1-(1,3-thiazol-2-yl)ethylideneamino] 4-fluorobenzoate, 4-fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
| Molecular Formula | C12H9FN2O2S |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 2.8632 |
| Topological Polar Surface Area | 51.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.03687 |
| Heavy Atoms | 18 |
| Complexity | 564.2732 |
Chemical Identifiers
| CAS Number | 866149-24-8 |
|---|---|
| SMILES | CC(=NOC(=O)C1=CC=C(C=C1)F)C2=NC=CS2 |
Product Overview
4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester (CAS 866149-24-8), with molecular formula C12H9FN2O2S and molecular weight 264.04 g/mol. IUPAC: [1-(1,3-thiazol-2-yl)ethylideneamino] 4-fluorobenzoate.
Chemical Property Profile of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
Property Insights of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
The XLogP value of 2.8632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. With a topological polar surface area (TPSA) of 51.55 Ų, 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester has 0 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 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
The CAS number of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester is 866149-24-8.
What is the molecular formula of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
The molecular formula of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester is C12H9FN2O2S.
What is the molecular weight of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
The molecular weight of 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester is 264.04 g/mol.
Where can I buy 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
You can request a quote for 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.