![ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/7233/723332-08-9.webp)
ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 723332-08-9) is a chemical compound with molecular formula C28H23ClN4O3S and molecular weight 530.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-[2-(3-CHLOROQUINOXALIN-2-YL)-2-CYANOACETAMIDO]-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H23ClN4O3S |
|---|---|
| Molecular Weight | 530.12 g/mol |
| LogP | 6.03978 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.1179 |
| Heavy Atoms | 37 |
| Complexity | 1529.9647 |
Chemical Identifiers
| CAS Number | 723332-08-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C#N)C4=NC5=CC=CC=C5N=C4Cl |
Product Overview
ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 723332-08-9), with molecular formula C28H23ClN4O3S and molecular weight 530.12 g/mol. IUPAC: ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.03978 indicates that ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 723332-08-9.
What is the molecular formula of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H23ClN4O3S.
What is the molecular weight of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 530.12 g/mol.
Where can I buy ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[2-(3-chloroquinoxalin-2-yl)-2-cyanoacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.