![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate structure](/static/products/7916/791604-68-7.webp)
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
TL;DR: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate (CAS 791604-68-7) is a chemical compound with molecular formula C27H25N3O5S2 and molecular weight 535.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate|({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 3-(2-phenylethenesulfonamido)benzoate|EN300-26620973
| Molecular Formula | C27H25N3O5S2 |
|---|---|
| Molecular Weight | 535.12 g/mol |
| LogP | 5.09678 |
| Topological Polar Surface Area | 125.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.12354 |
| Heavy Atoms | 37 |
| Complexity | 1471.3956 |
Chemical Identifiers
| CAS Number | 791604-68-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)C3=CC(=CC=C3)NS(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate (CAS 791604-68-7), with molecular formula C27H25N3O5S2 and molecular weight 535.12 g/mol. IUPAC: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Property Insights of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
The XLogP value of 5.09678 indicates that [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate. Following Lipinski's Rule of Five, [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate has 2 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 [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The CAS number of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is 791604-68-7.
What is the molecular formula of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The molecular formula of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is C27H25N3O5S2.
What is the molecular weight of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The molecular weight of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is 535.12 g/mol.
Where can I buy [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
You can request a quote for [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.