RefChem:1096150
TL;DR: RefChem:1096150 (CAS 86871-63-8) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
Also Known As: 4-Methyl-5-phenyl-3-piperidinoethoxy-pyrazole maleate, 1-(2-((4-Methyl-5-phenyl-1H-pyrazol-3-yl)oxy)ethyl)piperidine (Z)-2-butenedioate (1:1), Piperidine, 1-(2-((4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine, RefChem:1096150
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 2.96162 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 794.979 |
Chemical Identifiers
| CAS Number | 86871-63-8 |
|---|---|
| SMILES | CC1=C(NN=C1OCCN2CCCCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096150 (CAS 86871-63-8), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine.
Chemical Property Profile of RefChem:1096150
Property Insights of RefChem:1096150
The XLogP value of 2.96162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096150. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096150. Following Lipinski's Rule of Five, RefChem:1096150 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:1096150?
The CAS number of RefChem:1096150 is 86871-63-8.
What is the molecular formula of RefChem:1096150?
The molecular formula of RefChem:1096150 is C21H27N3O5.
What is the molecular weight of RefChem:1096150?
The molecular weight of RefChem:1096150 is 401.20 g/mol.
Where can I buy RefChem:1096150?
You can request a quote for RefChem:1096150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096150?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.