![dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate structure](/static/products/6256/62562-91-8.webp)
dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate
TL;DR: dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate (CAS 62562-91-8) is a chemical compound with molecular formula C16H21NO6 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate
Also Known As: dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate, Dimethyl 1-[2-(1,3-dioxolan-2-yl)ethyl]-1,8-dihydroazocine-3,4-dicarboxylate
| Molecular Formula | C16H21NO6 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 0.7775 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1369 |
| Heavy Atoms | 23 |
| Complexity | 530.68854 |
Chemical Identifiers
| CAS Number | 62562-91-8 |
|---|---|
| SMILES | COC(=O)/C/1=C/C=C\CN(/C=C1/C(=O)OC)CCC2OCCO2 |
Product Overview
dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate (CAS 62562-91-8), with molecular formula C16H21NO6 and molecular weight 323.14 g/mol. IUPAC: dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate.
Chemical Property Profile of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate
Property Insights of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate
The XLogP value of 0.7775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate. Following Lipinski's Rule of Five, dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate has 0 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 dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate?
The CAS number of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate is 62562-91-8.
What is the molecular formula of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate?
The molecular formula of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate is C16H21NO6.
What is the molecular weight of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate?
The molecular weight of dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate is 323.14 g/mol.
Where can I buy dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate?
You can request a quote for dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-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 (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (3Z,5E,7E)-1-[2-(1,3-dioxolan-2-yl)ethyl]-2H-azocine-6,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.