RefChem:1058478
TL;DR: RefChem:1058478 (CAS 86871-45-6) is a chemical compound with molecular formula C20H25N3O5 and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole
Also Known As: 3-Phenyl-4-methyl-5-pyrrolidinoethoxy-pyrazole maleate, Phenyl-3 methyl-4 pyrrolidinoethoxy-5 pyrazole maleate [French], Phenyl-3 methyl-4 pyrrolidinoethoxy-5 pyrazole maleate, 1H-Pyrazole, 4-methyl-3-phenyl-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1), 4-Methyl-3-phenyl-5-(2-(1-pyrrolidinyl)ethoxy)-1H-pyrazole (Z)-2-butenedioate (1:1)
| Molecular Formula | C20H25N3O5 |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 2.57152 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.1794 |
| Heavy Atoms | 28 |
| Complexity | 779.4274 |
Chemical Identifiers
| CAS Number | 86871-45-6 |
|---|---|
| SMILES | CC1=C(NN=C1OCCN2CCCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058478 (CAS 86871-45-6), with molecular formula C20H25N3O5 and molecular weight 387.18 g/mol. IUPAC: (E)-but-2-enedioic acid;4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole.
Chemical Property Profile of RefChem:1058478
Property Insights of RefChem:1058478
The XLogP value of 2.57152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058478. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058478. Following Lipinski's Rule of Five, RefChem:1058478 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:1058478?
The CAS number of RefChem:1058478 is 86871-45-6.
What is the molecular formula of RefChem:1058478?
The molecular formula of RefChem:1058478 is C20H25N3O5.
What is the molecular weight of RefChem:1058478?
The molecular weight of RefChem:1058478 is 387.18 g/mol.
Where can I buy RefChem:1058478?
You can request a quote for RefChem:1058478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058478?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.