![4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester structure](/static/products/866/866050-60-4.png)
4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
TL;DR: 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester (CAS 866050-60-4) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 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-methoxybenzoate
Also Known As: ML114 Analog, [1-(1,3-thiazol-2-yl)ethylideneamino] 4-methoxybenzoate, 2-{[(4-methoxybenzoyl)oxy]ethanimidoyl}-1,3-thiazole, 4-methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 2.7327 |
| Topological Polar Surface Area | 60.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 576.4456 |
Chemical Identifiers
| CAS Number | 866050-60-4 |
|---|---|
| SMILES | CC(=NOC(=O)C1=CC=C(C=C1)OC)C2=NC=CS2 |
Product Overview
4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester (CAS 866050-60-4), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: [1-(1,3-thiazol-2-yl)ethylideneamino] 4-methoxybenzoate.
Chemical Property Profile of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
Property Insights of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester
The XLogP value of 2.7327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. The TPSA of 60.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. Following Lipinski's Rule of Five, 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester has 0 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 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
The CAS number of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester is 866050-60-4.
What is the molecular formula of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
The molecular formula of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester is C13H12N2O3S.
What is the molecular weight of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
The molecular weight of 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester is 276.06 g/mol.
Where can I buy 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
You can request a quote for 4-Methoxybenzoic 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-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.