N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate
TL;DR: N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate (CAS 62033-48-1) is a chemical compound with molecular formula C18H23NO8 and molecular weight 381.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-(1-methylpiperidin-3-yl)phenyl] acetate;oxalic acid
Also Known As: N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate, 4-(1-Methyl-3-piperidinyl)-1,2-benzenediol diacetate (ester) ethanedioate (1:1), 1,2-Benzenediol, 4-(1-methyl-3-piperidinyl)-, diacetate (ester), ethanedioate (1:1), [2-acetyloxy-4-(1-methylpiperidin-3-yl)phenyl] acetate; oxalic acid, Oxalic acid--4-(1-methylpiperidin-3-yl)-1,2-phenylene diacetate (1/1)
| Molecular Formula | C18H23NO8 |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 1.502 |
| Topological Polar Surface Area | 130.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.14236 |
| Heavy Atoms | 27 |
| Complexity | 703.31323 |
Chemical Identifiers
| CAS Number | 62033-48-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C2CCCN(C2)C)OC(=O)C.C(=O)(C(=O)O)O |
Product Overview
N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate (CAS 62033-48-1), with molecular formula C18H23NO8 and molecular weight 381.14 g/mol. IUPAC: [2-acetyloxy-4-(1-methylpiperidin-3-yl)phenyl] acetate;oxalic acid.
Chemical Property Profile of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate
Property Insights of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate
The XLogP value of 1.502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate. The TPSA of 130.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate. Following Lipinski's Rule of Five, N-Methyl-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-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate?
The CAS number of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate is 62033-48-1.
What is the molecular formula of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate?
The molecular formula of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate is C18H23NO8.
What is the molecular weight of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate?
The molecular weight of N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate is 381.14 g/mol.
Where can I buy N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate?
You can request a quote for N-Methyl-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-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.