(E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate (CAS 955895-67-7) is a chemical compound with molecular formula C24H26N4O4 and molecular weight 434.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, methyl 4-[(E)-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate, Methyl 4-[[[5-[4-(3-methylbutoxy)phenyl]2H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate, METHYL 4-{(E)-[({3-[4-(ISOPENTYLOXY)PHENYL]-1H-PYRAZOL-5-YL}CARBONYL)HYDRAZONO]METHYL}BENZOATE
| Molecular Formula | C24H26N4O4 |
|---|---|
| Molecular Weight | 434.20 g/mol |
| LogP | 4.0521 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.1954 |
| Heavy Atoms | 32 |
| Complexity | 1070.1384 |
Chemical Identifiers
| CAS Number | 955895-67-7 |
|---|---|
| SMILES | CC(C)CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC |
Product Overview
(E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate (CAS 955895-67-7), with molecular formula C24H26N4O4 and molecular weight 434.20 g/mol. IUPAC: methyl 4-[(E)-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate
The XLogP value of 4.0521 indicates that (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate has 2 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 (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is 955895-67-7.
What is the molecular formula of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is C24H26N4O4.
What is the molecular weight of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is 434.20 g/mol.
Where can I buy (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(3-(4-(isopentyloxy)phenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.