![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide structure](/static/products/7778/777874-39-2.webp)
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
TL;DR: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide (CAS 777874-39-2) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
Also Known As: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide, N-{3-CYANO-4H5H6H7H8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-2-(2-NITROPHENYL)ACETAMIDE, N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[2,1-d]thiophen-2-yl))-2-(2-nitrophen yl)acetamide
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.97808 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 866.93665 |
Chemical Identifiers
| CAS Number | 777874-39-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide (CAS 777874-39-2), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide.
Chemical Property Profile of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
Property Insights of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide
The XLogP value of 3.97808 indicates that N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)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 N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide?
The CAS number of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide is 777874-39-2.
What is the molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide?
The molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide is C18H17N3O3S.
What is the molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide?
The molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide is 355.10 g/mol.
Where can I buy N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide?
You can request a quote for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.