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Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate (CAS 4177-73-5) is a chemical compound with molecular formula C17H24BrNO4 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate
Also Known As: ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate, Ethyl 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylate, AB00084416-01, ethyl 1-(2-bromo-4,5-dimethoxybenzyl)-4-piperidinecarboxylate
| Molecular Formula | C17H24BrNO4 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 3.2414 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.08887 |
| Heavy Atoms | 23 |
| Complexity | 541.6401 |
Chemical Identifiers
| CAS Number | 4177-73-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2Br)OC)OC |
Product Overview
Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate (CAS 4177-73-5), with molecular formula C17H24BrNO4 and molecular weight 385.09 g/mol. IUPAC: ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate
The XLogP value of 3.2414 indicates that Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate has 0 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 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate is 4177-73-5.
What is the molecular formula of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate is C17H24BrNO4.
What is the molecular weight of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate is 385.09 g/mol.
Where can I buy Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.