![Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) structure](/static/products/5886/588677-16-1.webp)
Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)
TL;DR: Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) (CAS 588677-16-1) is a chemical compound with molecular formula C13H11ClFNO3S and molecular weight 315.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]acetate
Also Known As: Glycine,N-[ carbonyl]-,ethylester, Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI), ethyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]acetate, ethyl 2-[(3-chloro-4-fluorobenzo[b]thiophen-2-yl)carbonylamino]acetate, ethyl N-[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]glycinate
| Molecular Formula | C13H11ClFNO3S |
|---|---|
| Molecular Weight | 315.01 g/mol |
| LogP | 2.9867 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0132 |
| Heavy Atoms | 20 |
| Complexity | 670.9252 |
Chemical Identifiers
| CAS Number | 588677-16-1 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=C(C2=C(C=CC=C2S1)F)Cl |
Product Overview
Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) (CAS 588677-16-1), with molecular formula C13H11ClFNO3S and molecular weight 315.01 g/mol. IUPAC: ethyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]acetate.
Chemical Property Profile of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)
Property Insights of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)
The XLogP value of 2.9867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI). With a topological polar surface area (TPSA) of 55.4 Ų, Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) 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 Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)?
The CAS number of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) is 588677-16-1.
What is the molecular formula of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)?
The molecular formula of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) is C13H11ClFNO3S.
What is the molecular weight of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)?
The molecular weight of Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) is 315.01 g/mol.
Where can I buy Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)?
You can request a quote for Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Glycine, N-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-, ethyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.