but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
TL;DR: but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole (CAS 86871-55-8) is a chemical compound with molecular formula C19H22ClN3O5 and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Also Known As: 3-(p-Chlorophenyl)-5-pyrrolidinoethoxy-pyrazole maleate, 3-(4-CHLOROPHENYL)-5-(2-PYRROLIDIN-1-YLETHOXY)-2H-PYRAZOLE MALEATE, 1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1), 3-(4-Chlorophenyl)-5-(2-(1-pyrrolidinyl)ethoxy)-1H-pyrazole (Z)-2-butenedioate (1:1)
| Molecular Formula | C19H22ClN3O5 |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 2.9165 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.1248 |
| Heavy Atoms | 28 |
| Complexity | 782.15533 |
Chemical Identifiers
| CAS Number | 86871-55-8 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=NNC(=C2)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole (CAS 86871-55-8), with molecular formula C19H22ClN3O5 and molecular weight 407.12 g/mol. IUPAC: but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole.
Chemical Property Profile of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Property Insights of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
The XLogP value of 2.9165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole. Following Lipinski's Rule of Five, but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole has 3 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 but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
The CAS number of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole is 86871-55-8.
What is the molecular formula of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
The molecular formula of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole is C19H22ClN3O5.
What is the molecular weight of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
The molecular weight of but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole is 407.12 g/mol.
Where can I buy but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
You can request a quote for but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.