(2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
TL;DR: (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate (CAS 453518-35-9) is a chemical compound with molecular formula C11H7ClFNO3S and molecular weight 286.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
Also Known As: (2-amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate, 2-Amino-2-oxoethyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
| Molecular Formula | C11H7ClFNO3S |
|---|---|
| Molecular Weight | 286.98 g/mol |
| LogP | 2.3359 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.98193 |
| Heavy Atoms | 18 |
| Complexity | 640.4952 |
Chemical Identifiers
| CAS Number | 453518-35-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)OCC(=O)N |
Product Overview
(2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate (CAS 453518-35-9), with molecular formula C11H7ClFNO3S and molecular weight 286.98 g/mol. IUPAC: (2-amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
Property Insights of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate
The XLogP value of 2.3359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate?
The CAS number of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate is 453518-35-9.
What is the molecular formula of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate?
The molecular formula of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate is C11H7ClFNO3S.
What is the molecular weight of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate?
The molecular weight of (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate is 286.98 g/mol.
Where can I buy (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate?
You can request a quote for (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Amino-2-oxoethyl) 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.