N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide (CAS 329225-10-7) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-2-(2-nitrophenoxy)acetami de, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(2-nitrophenoxy)acetamide
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.42428 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 869.2633 |
Chemical Identifiers
| CAS Number | 329225-10-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide (CAS 329225-10-7), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide
The XLogP value of 3.42428 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide is 329225-10-7.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide is C17H15N3O4S.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide is 357.08 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-nitrophenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.