![4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/2407/240799-75-1.webp)
4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 240799-75-1) is a chemical compound with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyliminomethyl]-5-(methoxymethyl)-1,2-dihydropyrazol-3-one
Also Known As: 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one, 10B-109, 4-({[(4-chlorophenyl)methyl]amino}methylidene)-3-(methoxymethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(4-chlorophenyl)methyliminomethyl]-5-(methoxymethyl)-1,2-dihydropyrazol-3-one, (4Z)-4-[[(4-chlorophenyl)methylamino]methylene]-3-(methoxymethyl)-1H-pyrazol-5-one
| Molecular Formula | C13H14ClN3O2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 2.1219 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.07745 |
| Heavy Atoms | 19 |
| Complexity | 613.5637 |
Chemical Identifiers
| CAS Number | 240799-75-1 |
|---|---|
| SMILES | COCC1=C(C(=O)NN1)C=NCC2=CC=C(C=C2)Cl |
Product Overview
4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 240799-75-1), with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol. IUPAC: 4-[(4-chlorophenyl)methyliminomethyl]-5-(methoxymethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.1219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one 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 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one is 240799-75-1.
What is the molecular formula of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one is C13H14ClN3O2.
What is the molecular weight of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one is 279.08 g/mol.
Where can I buy 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-chlorobenzyl)amino]methylene}-5-(methoxymethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.