![2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide structure](/static/products/1007/1007502-57-9.webp)
2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide
TL;DR: 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide (CAS 1007502-57-9) is a chemical compound with molecular formula C28H24N6O2S and molecular weight 508.17 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)-N'-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
Also Known As: 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
| Molecular Formula | C28H24N6O2S |
|---|---|
| Molecular Weight | 508.17 g/mol |
| LogP | 4.7485 |
| Topological Polar Surface Area | 112.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.16815 |
| Heavy Atoms | 37 |
| Complexity | 1527.3478 |
Chemical Identifiers
| CAS Number | 1007502-57-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5 |
Product Overview
2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide (CAS 1007502-57-9), with molecular formula C28H24N6O2S and molecular weight 508.17 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide.
Chemical Property Profile of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide
Property Insights of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide
The XLogP value of 4.7485 indicates that 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide. Following Lipinski's Rule of Five, 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide has 2 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 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide?
The CAS number of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide is 1007502-57-9.
What is the molecular formula of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide?
The molecular formula of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide is C28H24N6O2S.
What is the molecular weight of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide?
The molecular weight of 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide is 508.17 g/mol.
Where can I buy 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide?
You can request a quote for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)amino]-2-oxoacetic acid 2-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.