Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate
TL;DR: Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate (CAS 477889-77-3) is a chemical compound with molecular formula C11H9F2NO4S2 and molecular weight 320.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate
Also Known As: ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate, ethyl 2-(1,3-benzothiazole-2-sulfonyl)-2,2-difluoroacetate, J2.717.181H, Benzothiazole-2-ylsulfonyldifluoroacetic acid ethyl ester, (Benzothiazole-2-sulfonyl)-difluoro-acetic acid ethyl ester
| Molecular Formula | C11H9F2NO4S2 |
|---|---|
| Molecular Weight | 320.99 g/mol |
| LogP | 2.2259 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.9941 |
| Heavy Atoms | 20 |
| Complexity | 721.62384 |
Chemical Identifiers
| CAS Number | 477889-77-3 |
|---|---|
| SMILES | CCOC(=O)C(F)(F)S(=O)(=O)C1=NC2=CC=CC=C2S1 |
Product Overview
Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate (CAS 477889-77-3), with molecular formula C11H9F2NO4S2 and molecular weight 320.99 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate.
Chemical Property Profile of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate
Property Insights of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate
The XLogP value of 2.2259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate. Following Lipinski's Rule of Five, Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate 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 Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate?
The CAS number of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate is 477889-77-3.
What is the molecular formula of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate?
The molecular formula of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate is C11H9F2NO4S2.
What is the molecular weight of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate?
The molecular weight of Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate is 320.99 g/mol.
Where can I buy Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate?
You can request a quote for Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,3-benzothiazol-2-ylsulfonyl)-2,2-difluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.