![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate structure](/static/products/101/1012620-82-4.png)
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
TL;DR: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (CAS 1012620-82-4) is a chemical compound with molecular formula C21H22ClN3O5S2 and molecular weight 495.07 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] 2-chloro-5-(dimethylsulfamoyl)benzoate
Also Known As: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
| Molecular Formula | C21H22ClN3O5S2 |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 3.58788 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.06894 |
| Heavy Atoms | 32 |
| Complexity | 1198.7478 |
Chemical Identifiers
| CAS Number | 1012620-82-4 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate (CAS 1012620-82-4), with molecular formula C21H22ClN3O5S2 and molecular weight 495.07 g/mol. IUPAC: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate.
Chemical Property Profile of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
Property Insights of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
The XLogP value of 3.58788 indicates that [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.57 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] 2-chloro-5-(dimethylsulfamoyl)benzoate. Following Lipinski's Rule of Five, [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate has 1 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The CAS number of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is 1012620-82-4.
What is the molecular formula of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The molecular formula of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is C21H22ClN3O5S2.
What is the molecular weight of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
The molecular weight of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate is 495.07 g/mol.
Where can I buy [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate?
You can request a quote for [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)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] 2-chloro-5-(dimethylsulfamoyl)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] 2-chloro-5-(dimethylsulfamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.