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Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate
TL;DR: Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate (CAS 656815-62-2) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylate
Also Known As: ChemDiv3_013295, BRD-K10162321-003-01-7, Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate, Ethyl 4-({[(2-methylphenyl)methyl]amino}methyl)cyclohexane-1-carboxylate, ethyl 4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylate
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 3.45412 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 450.28647 |
Chemical Identifiers
| CAS Number | 656815-62-2 |
|---|---|
| SMILES | CCOC(=O)C1CCC(CC1)CNCC2=CC=CC=C2C |
Product Overview
Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate (CAS 656815-62-2), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: ethyl 4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate
Property Insights of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate
The XLogP value of 3.45412 indicates that Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 3 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-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate?
The CAS number of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate is 656815-62-2.
What is the molecular formula of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate?
The molecular formula of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate is C18H27NO2.
What is the molecular weight of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate?
The molecular weight of Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate is 289.20 g/mol.
Where can I buy Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate?
You can request a quote for Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[[(2-methylphenyl)methyl]amino]methyl]cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.