![N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide structure](/static/products/4947/494791-16-1.webp)
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
TL;DR: N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide (CAS 494791-16-1) is a chemical compound with molecular formula C22H29N5O3S and molecular weight 443.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
Also Known As: N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
| Molecular Formula | C22H29N5O3S |
|---|---|
| Molecular Weight | 443.20 g/mol |
| LogP | 5.19942 |
| Topological Polar Surface Area | 113.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.1991 |
| Heavy Atoms | 31 |
| Complexity | 1001.9342 |
Chemical Identifiers
| CAS Number | 494791-16-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C#N)C)[N+](=O)[O-] |
Product Overview
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide (CAS 494791-16-1), with molecular formula C22H29N5O3S and molecular weight 443.20 g/mol. IUPAC: N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Property Insights of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
The XLogP value of 5.19942 indicates that N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide 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-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide?
The CAS number of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide is 494791-16-1.
What is the molecular formula of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide?
The molecular formula of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide is C22H29N5O3S.
What is the molecular weight of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide?
The molecular weight of N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide is 443.20 g/mol.
Where can I buy N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide?
You can request a quote for N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)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-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.