Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate
TL;DR: Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate (CAS 5463-31-0) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylate
Also Known As: Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate, ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylate, ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-piperidine-4-carboxylate
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 5463-31-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)C)C2=CC(=C(C=C2)O)O |
| InChIKey | FSXDAUOXFVZQSB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate (CAS 5463-31-0), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate
Property Insights of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate has 2 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 Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate?
The CAS number of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate is 5463-31-0.
What is the molecular formula of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate?
The molecular formula of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate is C15H21NO4.
What is the molecular weight of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate?
The molecular weight of Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate is 279.15 g/mol.
Where can I buy Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate?
You can request a quote for Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.