![methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate structure](/static/products/862/862485-67-4.png)
methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate
TL;DR: methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate (CAS 862485-67-4) is a chemical compound with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate
Also Known As: methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate, 2-[(4-amino-3-ethyl-2-thioxo-4-thiazoline-5-carbonyl)amino]benzoic acid methyl ester, 2-[[(4-amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-oxomethyl]amino]benzoic acid methyl ester, methyl 2-(4-amino-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxamido)benzoate, methyl 2-[(4-amino-3-ethyl-2-thioxo-1,3-thiazolin-5-yl)carbonylamino]benzoate
| Molecular Formula | C14H15N3O3S2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.05548 |
| Heavy Atoms | 22 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 862485-67-4 |
|---|---|
| SMILES | CCN1C(=C(SC1=S)C(=O)NC2=CC=CC=C2C(=O)OC)N |
| InChIKey | CUCSQWAVBHNDTG-UHFFFAOYSA-N |
Product Overview
methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate (CAS 862485-67-4), with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol. IUPAC: methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate
Property Insights of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate. The TPSA of 142.0 Ų indicates high polarity, suggesting methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate has 2 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 methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate?
The CAS number of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate is 862485-67-4.
What is the molecular formula of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate?
The molecular formula of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate is C14H15N3O3S2.
What is the molecular weight of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate?
The molecular weight of methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate is 337.06 g/mol.
Where can I buy methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate?
You can request a quote for methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.