dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate
TL;DR: dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate (CAS 57740-41-7) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate
Also Known As: dimethyl 1-phenethyl-3,4-dihydro-2H-azocine-6,7-dicarboxylate, dimethyl (5E,7E)-1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,
| Molecular Formula | C19H23NO4 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.16272 |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 57740-41-7 |
|---|---|
| SMILES | COC(=O)C1=CCCCN(C=C1C(=O)OC)CCC2=CC=CC=C2 |
| InChIKey | ILEQVBDPWGFNCB-UHFFFAOYSA-N |
Product Overview
dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate (CAS 57740-41-7), with molecular formula C19H23NO4 and molecular weight 329.16 g/mol. IUPAC: dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate.
Chemical Property Profile of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate
Property Insights of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate
The XLogP value of 3.2 indicates that dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate 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 dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate?
The CAS number of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate is 57740-41-7.
What is the molecular formula of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate?
The molecular formula of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate is C19H23NO4.
What is the molecular weight of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate?
The molecular weight of dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate is 329.16 g/mol.
Where can I buy dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate?
You can request a quote for dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(2-phenylethyl)-3,4-dihydro-2H-azocine-6,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.