![[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate structure](/static/products/4339/433966-48-4.webp)
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate
TL;DR: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate (CAS 433966-48-4) is a chemical compound with molecular formula C23H21ClN4O5 and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate
Also Known As: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate|4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-chlorobenzoate|AH-487/41088789|4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)-2-methoxyphenyl 3-chlorobenzoate
| Molecular Formula | C23H21ClN4O5 |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 3.39764 |
| Topological Polar Surface Area | 132.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.12006 |
| Heavy Atoms | 33 |
| Complexity | 1391.3007 |
Chemical Identifiers
| CAS Number | 433966-48-4 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Cl)OC)C4=C(NNC4=O)C |
Product Overview
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate (CAS 433966-48-4), with molecular formula C23H21ClN4O5 and molecular weight 468.12 g/mol. IUPAC: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate.
Chemical Property Profile of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate
Property Insights of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate
The XLogP value of 3.39764 indicates that [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.83 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate. Following Lipinski's Rule of Five, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate has 4 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-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate?
The CAS number of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate is 433966-48-4.
What is the molecular formula of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate?
The molecular formula of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate is C23H21ClN4O5.
What is the molecular weight of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate?
The molecular weight of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate is 468.12 g/mol.
Where can I buy [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate?
You can request a quote for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.