(E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide
TL;DR: (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 1285641-72-6) is a chemical compound with molecular formula C21H22Cl2N4O and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide, 5-(1-adamantyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide, F1092-0737, 3-(adamantan-1-yl)-N'-[(1E)-(2,4-dichlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, N'-[(E)-(2,4-dichlorophenyl)methylidene]-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C21H22Cl2N4O |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 4.9482 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.11707 |
| Heavy Atoms | 28 |
| Complexity | 916.3481 |
Chemical Identifiers
| CAS Number | 1285641-72-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)N/N=C/C5=C(C=C(C=C5)Cl)Cl |
Product Overview
(E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 1285641-72-6), with molecular formula C21H22Cl2N4O and molecular weight 416.12 g/mol. IUPAC: 5-(1-adamantyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
Chemical Property Profile of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide
Property Insights of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide
The XLogP value of 4.9482 indicates that (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide has 2 hydrogen bond donor(s) and 3 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)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide?
The CAS number of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide is 1285641-72-6.
What is the molecular formula of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide?
The molecular formula of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide is C21H22Cl2N4O.
What is the molecular weight of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide?
The molecular weight of (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide is 416.12 g/mol.
Where can I buy (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide?
You can request a quote for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((1s,3s)-adamantan-1-yl)-N'-(2,4-dichlorobenzylidene)-1H-pyrazole-5-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.