4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester
TL;DR: 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester (CAS 307320-69-0) is a chemical compound with molecular formula C23H26N4O3 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: 4-((5-ADAMANTAN-1-YL-2H-PYRAZOLE-3-CARBONYL)-HYDRAZONO-ME)-BENZOIC ACID ME ESTER, methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate, methyl 4-{(1E)-2-[(3-adamantanylpyrazol-5-yl)carbonylamino]-2-azavinyl}benzoat e, methyl 4-((E)-(2-(3-((3r,5r,7r)-adamantan-1-yl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, METHYL 4-[(E)-({[3-(ADAMANTAN-1-YL)-1H-PYRAZOL-5-YL]FORMAMIDO}IMINO)METHYL]BENZOATE
| Molecular Formula | C23H26N4O3 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 3.428 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.2005 |
| Heavy Atoms | 30 |
| Complexity | 956.8479 |
Chemical Identifiers
| CAS Number | 307320-69-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C34CC5CC(C3)CC(C5)C4 |
Product Overview
4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester (CAS 307320-69-0), with molecular formula C23H26N4O3 and molecular weight 406.20 g/mol. IUPAC: methyl 4-[(E)-[[5-(1-adamantyl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester
Property Insights of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester
The XLogP value of 3.428 indicates that 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester. Following Lipinski's Rule of Five, 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester has 2 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 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester?
The CAS number of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester is 307320-69-0.
What is the molecular formula of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester?
The molecular formula of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester is C23H26N4O3.
What is the molecular weight of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester?
The molecular weight of 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester is 406.20 g/mol.
Where can I buy 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester?
You can request a quote for 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-Adamantan-1-YL-2H-pyrazole-3-carbonyl)-hydrazono-ME)-benzoic acid ME ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.