Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate
TL;DR: Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate (CAS 62563-00-2) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate
Also Known As: dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate, dimethyl (5E,7E)-1,2,3,4-tetrahydroazocine-6,7-dicarboxylate
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 62563-00-2 |
|---|---|
| SMILES | COC(=O)C1=CCCCNC=C1C(=O)OC |
| InChIKey | IKDOROHOKQMDRF-UHFFFAOYSA-N |
Product Overview
Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate (CAS 62563-00-2), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate.
Chemical Property Profile of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate
Property Insights of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate has 1 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 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate?
The CAS number of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate is 62563-00-2.
What is the molecular formula of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate?
The molecular formula of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate is C11H15NO4.
What is the molecular weight of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate?
The molecular weight of Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate is 225.10 g/mol.
Where can I buy Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate?
You can request a quote for Dimethyl 1,2,3,4-tetrahydroazocine-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 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,2,3,4-tetrahydroazocine-6,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.