2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
TL;DR: 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide (CAS 438199-61-2) is a chemical compound with molecular formula C22H25ClN2O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Also Known As: 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide, 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-y l))-2-methylpropanamide, 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-methylpropanamide
| Molecular Formula | C22H25ClN2O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.97428 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.13254 |
| Heavy Atoms | 28 |
| Complexity | 896.496 |
Chemical Identifiers
| CAS Number | 438199-61-2 |
|---|---|
| SMILES | CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl |
Product Overview
2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide (CAS 438199-61-2), with molecular formula C22H25ClN2O2S and molecular weight 416.13 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide.
Chemical Property Profile of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Property Insights of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
The XLogP value of 5.97428 indicates that 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide. Following Lipinski's Rule of Five, 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide?
The CAS number of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide is 438199-61-2.
What is the molecular formula of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide?
The molecular formula of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide is C22H25ClN2O2S.
What is the molecular weight of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide?
The molecular weight of 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide is 416.13 g/mol.
Where can I buy 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide?
You can request a quote for 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenoxy)-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.