N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate
TL;DR: N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate (CAS 62033-54-9) is a chemical compound with molecular formula C20H27NO8 and molecular weight 409.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-(1-propylpiperidin-3-yl)phenyl] acetate;oxalic acid
Also Known As: N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate, 4-(1-Propyl-3-piperidinyl)-1,2-benzenediol diacetate (ester) ethanedioate (1:1), 1,2-Benzenediol, 4-(1-propyl-3-piperidinyl)-, diacetate (ester), ethanedioate (1:1), N-propyl-3-(3',4'-diacetoxyphenyl)-piperidine oxalate, N-PROPYL-3-(3,4DIACETOXYPHENYL)PIPERIDINE OXALATE
| Molecular Formula | C20H27NO8 |
|---|---|
| Molecular Weight | 409.17 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.17368 |
| Heavy Atoms | 29 |
| Complexity | 731.99677 |
Chemical Identifiers
| CAS Number | 62033-54-9 |
|---|---|
| SMILES | CCCN1CCCC(C1)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C.C(=O)(C(=O)O)O |
Product Overview
N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate (CAS 62033-54-9), with molecular formula C20H27NO8 and molecular weight 409.17 g/mol. IUPAC: [2-acetyloxy-4-(1-propylpiperidin-3-yl)phenyl] acetate;oxalic acid.
Chemical Property Profile of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate
Property Insights of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate. Following Lipinski's Rule of Five, N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate has 2 hydrogen bond donor(s) and 7 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 N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate?
The CAS number of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate is 62033-54-9.
What is the molecular formula of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate?
The molecular formula of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate is C20H27NO8.
What is the molecular weight of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate?
The molecular weight of N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate is 409.17 g/mol.
Where can I buy N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate?
You can request a quote for N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate?
Yes, KEHONG BIO provides custom synthesis services for N-Propyl-3-(3',4'diacetoxyphenyl)piperidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.