![2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester structure](/static/products/862/862976-17-8.png)
2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester
TL;DR: 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester (CAS 862976-17-8) is a chemical compound with molecular formula C13H10FN3O2S2 and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-thiazole-4-carboxylate, 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester, ethyl 2-((6-fluorobenzo[d]thiazol-2-yl)amino)thiazole-4-carboxylate, ethyl 2-(6-fluoro-1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate
| Molecular Formula | C13H10FN3O2S2 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 3.8122 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.01984 |
| Heavy Atoms | 21 |
| Complexity | 799.6696 |
Chemical Identifiers
| CAS Number | 862976-17-8 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)NC2=NC3=C(S2)C=C(C=C3)F |
Product Overview
2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester (CAS 862976-17-8), with molecular formula C13H10FN3O2S2 and molecular weight 323.02 g/mol. IUPAC: ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester
Property Insights of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester
The XLogP value of 3.8122 indicates that 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 7 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 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester?
The CAS number of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester is 862976-17-8.
What is the molecular formula of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester?
The molecular formula of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester is C13H10FN3O2S2.
What is the molecular weight of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester?
The molecular weight of 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester is 323.02 g/mol.
Where can I buy 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester?
You can request a quote for 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]-4-thiazolecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.