dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate
TL;DR: dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate (CAS 62562-88-3) is a chemical compound with molecular formula C24H23NO4 and molecular weight 389.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate
Also Known As: dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate, 1-benzhydryl-3,4-dicarbomethoxy-1,8-dihydro-azocine, Dimethyl 1-(diphenylmethyl)-1,8-dihydroazocine-3,4-dicarboxylate, DIMETHYL (2E,4E,6Z)-1-BENZHYDRYL-8H-AZOCINE-3,4-DICARBOXYLATE
| Molecular Formula | C24H23NO4 |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.16272 |
| Heavy Atoms | 29 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 62562-88-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CCN(C=C1C(=O)OC)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | YXKGVFOFOHVSEW-UHFFFAOYSA-N |
Product Overview
dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate (CAS 62562-88-3), with molecular formula C24H23NO4 and molecular weight 389.16 g/mol. IUPAC: dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate.
Chemical Property Profile of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate
Property Insights of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate
The XLogP value of 4.4 indicates that dimethyl 1-benzhydryl-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-benzhydryl-2H-azocine-6,7-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 1-benzhydryl-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-benzhydryl-2H-azocine-6,7-dicarboxylate?
The CAS number of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate is 62562-88-3.
What is the molecular formula of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate?
The molecular formula of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate is C24H23NO4.
What is the molecular weight of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate?
The molecular weight of dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate is 389.16 g/mol.
Where can I buy dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate?
You can request a quote for dimethyl 1-benzhydryl-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-benzhydryl-2H-azocine-6,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-benzhydryl-2H-azocine-6,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.