RefChem:1096161
TL;DR: RefChem:1096161 (CAS 86871-69-4) is a chemical compound with molecular formula C22H29N3O5 and molecular weight 415.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
Also Known As: 4-Methyl-5-phenyl-3-piperidinopropoxy-pyrazole maleate, 1-(3-((4-Methyl-5-phenyl-1H-pyrazol-3-yl)oxy)propyl)piperidine (Z)-2-butenedioate (1:1), Piperidine, 1-(3-((4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy)propyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine, RefChem:1096161
| Molecular Formula | C22H29N3O5 |
|---|---|
| Molecular Weight | 415.21 g/mol |
| LogP | 3.35172 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.21072 |
| Heavy Atoms | 30 |
| Complexity | 810.55347 |
Chemical Identifiers
| CAS Number | 86871-69-4 |
|---|---|
| SMILES | CC1=C(NN=C1OCCCN2CCCCC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096161 (CAS 86871-69-4), with molecular formula C22H29N3O5 and molecular weight 415.21 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine.
Chemical Property Profile of RefChem:1096161
Property Insights of RefChem:1096161
The XLogP value of 3.35172 indicates that RefChem:1096161 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:1096161. Following Lipinski's Rule of Five, RefChem:1096161 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:1096161?
The CAS number of RefChem:1096161 is 86871-69-4.
What is the molecular formula of RefChem:1096161?
The molecular formula of RefChem:1096161 is C22H29N3O5.
What is the molecular weight of RefChem:1096161?
The molecular weight of RefChem:1096161 is 415.21 g/mol.
Where can I buy RefChem:1096161?
You can request a quote for RefChem:1096161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096161?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.