RefChem:1058473
TL;DR: RefChem:1058473 (CAS 86871-77-4) is a chemical compound with molecular formula C20H24ClN3O5 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-(4-chlorophenyl)-4-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Also Known As: 3-(p-Chlorophenyl)-4-methyl-5-pyrrolidinoethoxy-pyrazole maleate, 1H-Pyrazole, 3-(4-chlorophenyl)-4-methyl-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 5-(4-chlorophenyl)-4-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole, RefChem:1058473
| Molecular Formula | C20H24ClN3O5 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 3.22492 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.14044 |
| Heavy Atoms | 29 |
| Complexity | 826.30164 |
Chemical Identifiers
| CAS Number | 86871-77-4 |
|---|---|
| SMILES | CC1=C(NN=C1OCCN2CCCC2)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058473 (CAS 86871-77-4), with molecular formula C20H24ClN3O5 and molecular weight 421.14 g/mol. IUPAC: (E)-but-2-enedioic acid;5-(4-chlorophenyl)-4-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole.
Chemical Property Profile of RefChem:1058473
Property Insights of RefChem:1058473
The XLogP value of 3.22492 indicates that RefChem:1058473 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058473. Following Lipinski's Rule of Five, RefChem:1058473 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 RefChem:1058473?
The CAS number of RefChem:1058473 is 86871-77-4.
What is the molecular formula of RefChem:1058473?
The molecular formula of RefChem:1058473 is C20H24ClN3O5.
What is the molecular weight of RefChem:1058473?
The molecular weight of RefChem:1058473 is 421.14 g/mol.
Where can I buy RefChem:1058473?
You can request a quote for RefChem:1058473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058473?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.