![(1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone structure](/static/products/512/512817-85-5.png)
(1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
TL;DR: (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone (CAS 512817-85-5) is a chemical compound with molecular formula C28H29N5O5 and molecular weight 515.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Also Known As: (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone, (1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone, (1-ETHYL-4-NITRO-1H-PYRAZOL-3-YL){3-(4-METHOXYPHENYL)-7-[(E)-1-(4-METHOXYPHENYL)METHYLIDENE]-3,3A,4,5,6,7-HEXAHYDRO-2H-INDAZOL-2-YL}METHANONE, 2-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
| Molecular Formula | C28H29N5O5 |
|---|---|
| Molecular Weight | 515.22 g/mol |
| LogP | 5.2652 |
| Topological Polar Surface Area | 112.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.21686 |
| Heavy Atoms | 38 |
| Complexity | 1408.391 |
Chemical Identifiers
| CAS Number | 512817-85-5 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)N2C(C3CCC/C(=C\C4=CC=C(C=C4)OC)/C3=N2)C5=CC=C(C=C5)OC)[N+](=O)[O-] |
Product Overview
(1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone (CAS 512817-85-5), with molecular formula C28H29N5O5 and molecular weight 515.22 g/mol. IUPAC: (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone.
Chemical Property Profile of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Property Insights of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
The XLogP value of 5.2652 indicates that (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone. Following Lipinski's Rule of Five, (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
The CAS number of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is 512817-85-5.
What is the molecular formula of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
The molecular formula of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is C28H29N5O5.
What is the molecular weight of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
The molecular weight of (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is 515.22 g/mol.
Where can I buy (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
You can request a quote for (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-ethyl-4-nitropyrazol-3-yl)-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.