![[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate structure](/static/products/5405/5405-07-2.webp)
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
TL;DR: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CAS 5405-07-2) is a chemical compound with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
Also Known As: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate|T0516-8681|(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylmethyl 2-[(4-phenoxybenzoyl)amino]acetate|2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-(4-phenoxybenzoyl)glycinate
| Molecular Formula | C26H23N3O5S |
|---|---|
| Molecular Weight | 489.14 g/mol |
| LogP | 4.20258 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.13583 |
| Heavy Atoms | 35 |
| Complexity | 1262.6345 |
Chemical Identifiers
| CAS Number | 5405-07-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C#N |
Product Overview
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CAS 5405-07-2), with molecular formula C26H23N3O5S and molecular weight 489.14 g/mol. IUPAC: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
Chemical Property Profile of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
Property Insights of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
The XLogP value of 4.20258 indicates that [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate. Following Lipinski's Rule of Five, [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has 2 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-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The CAS number of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is 5405-07-2.
What is the molecular formula of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The molecular formula of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is C26H23N3O5S.
What is the molecular weight of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The molecular weight of [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is 489.14 g/mol.
Where can I buy [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
You can request a quote for [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.