Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate
TL;DR: Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate (CAS 6604-27-9) is a chemical compound with molecular formula C22H27NO5 and molecular weight 385.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-methyl-1-(2-phenylethyl)piperidin-3-yl]phenol;oxalic acid
Also Known As: 3-(3-(3-Methyl-1-phenethylpiperidinyl))phenol, oxalate, 3-(p-Hydroxyphenyl)-3-methyl-1-phenethylpiperidine, oxalate, Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate, Piperidine, 3-(p-hydroxyphenyl)-3-methyl-1-phenethyl-, oxalate, 3-(3-methyl-1-phenethylpiperidin-3-yl)phenol; oxalic acid
| Molecular Formula | C22H27NO5 |
|---|---|
| Molecular Weight | 385.19 g/mol |
| LogP | 3.144 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.18893 |
| Heavy Atoms | 28 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 6604-27-9 |
|---|---|
| SMILES | CC1(CCCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O.C(=O)(C(=O)O)O |
| InChIKey | JHIOVODYSFNQBG-UHFFFAOYSA-N |
Product Overview
Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate (CAS 6604-27-9), with molecular formula C22H27NO5 and molecular weight 385.19 g/mol. IUPAC: 3-[3-methyl-1-(2-phenylethyl)piperidin-3-yl]phenol;oxalic acid.
Chemical Property Profile of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate
Property Insights of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate
The XLogP value of 3.144 indicates that Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate. Following Lipinski's Rule of Five, Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate has 3 hydrogen bond donor(s) and 6 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 Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate?
The CAS number of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate is 6604-27-9.
What is the molecular formula of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate?
The molecular formula of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate is C22H27NO5.
What is the molecular weight of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate?
The molecular weight of Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate is 385.19 g/mol.
Where can I buy Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate?
You can request a quote for Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(3-(3-methyl-1-phenethylpiperidinyl))-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.