![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide structure](/static/products/879/879459-05-9.png)
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
TL;DR: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide (CAS 879459-05-9) is a chemical compound with molecular formula C18H21N5O3S and molecular weight 387.14 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)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide
Also Known As: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide, N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))-4-(5-methyl-3- nitropyrazolyl)butanamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide, N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-4-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)BUTANAMIDE
| Molecular Formula | C18H21N5O3S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 3.7207 |
| Topological Polar Surface Area | 113.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1365 |
| Heavy Atoms | 27 |
| Complexity | 908.97424 |
Chemical Identifiers
| CAS Number | 879459-05-9 |
|---|---|
| SMILES | CC1=CC(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)[N+](=O)[O-] |
Product Overview
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide (CAS 879459-05-9), with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide.
Chemical Property Profile of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Property Insights of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
The XLogP value of 3.7207 indicates that N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.85 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)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide?
The CAS number of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide is 879459-05-9.
What is the molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide?
The molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide is C18H21N5O3S.
What is the molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide?
The molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide is 387.14 g/mol.
Where can I buy N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide?
You can request a quote for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide 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)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.