![N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide structure](/static/products/4535/453580-11-5.webp)
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide
TL;DR: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide (CAS 453580-11-5) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
Also Known As: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.25928 |
| Topological Polar Surface Area | 99.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 986.0675 |
Chemical Identifiers
| CAS Number | 453580-11-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N)[N+](=O)[O-] |
Product Overview
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide (CAS 453580-11-5), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-piperidin-1-ylbenzamide.
Chemical Property Profile of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide
Property Insights of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide
The XLogP value of 4.25928 indicates that N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide 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-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide?
The CAS number of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide is 453580-11-5.
What is the molecular formula of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide?
The molecular formula of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide is C20H20N4O3S.
What is the molecular weight of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide?
The molecular weight of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide is 396.13 g/mol.
Where can I buy N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide?
You can request a quote for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide 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-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-4-(piperidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.