2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
TL;DR: 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CAS 438452-87-0) is a chemical compound with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
Also Known As: 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetamide
| Molecular Formula | C23H26N2O3S |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 4.88928 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.1664 |
| Heavy Atoms | 29 |
| Complexity | 942.3301 |
Chemical Identifiers
| CAS Number | 438452-87-0 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)CC=C)OC |
Product Overview
2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CAS 438452-87-0), with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol. IUPAC: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
Chemical Property Profile of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Property Insights of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
The XLogP value of 4.88928 indicates that 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide has 1 hydrogen bond donor(s) and 5 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-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The CAS number of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is 438452-87-0.
What is the molecular formula of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The molecular formula of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is C23H26N2O3S.
What is the molecular weight of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The molecular weight of 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is 410.17 g/mol.
Where can I buy 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
You can request a quote for 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-allyl-2-methoxyphenoxy)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.