(E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid
TL;DR: (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid (CAS 313648-66-7) is a chemical compound with molecular formula C26H28N2O5 and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid
Also Known As: (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid, 4-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid, 4-[7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C26H28N2O5 |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 4.6916 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.19983 |
| Heavy Atoms | 33 |
| Complexity | 1072.866 |
Chemical Identifiers
| CAS Number | 313648-66-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)CCC(=O)O |
Product Overview
(E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid (CAS 313648-66-7), with molecular formula C26H28N2O5 and molecular weight 448.20 g/mol. IUPAC: 4-[(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid
Property Insights of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid
The XLogP value of 4.6916 indicates that (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 5 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 (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid?
The CAS number of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid is 313648-66-7.
What is the molecular formula of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid?
The molecular formula of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid is C26H28N2O5.
What is the molecular weight of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid?
The molecular weight of (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid is 448.20 g/mol.
Where can I buy (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid?
You can request a quote for (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.