J3.295.812E
TL;DR: J3.295.812E (CAS 69758-70-9) is a chemical compound with molecular formula C27H28N2O3 and molecular weight 428.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate
Also Known As: J3.295.812E, 4-(Benzoyloxy(7-vinyl-1,4-ethanopiperidine-2-yl)methyl)-6-methoxyquinoline, [(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-(6-methoxyquinolin-4-yl)methyl] Benzoate, [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate, {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methyl benzoate
| Molecular Formula | C27H28N2O3 |
|---|---|
| Molecular Weight | 428.21 g/mol |
| LogP | 5.0379 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.21 |
| Heavy Atoms | 32 |
| Complexity | 1130.2095 |
Chemical Identifiers
| CAS Number | 69758-70-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OC(=O)C5=CC=CC=C5 |
Product Overview
J3.295.812E (CAS 69758-70-9), with molecular formula C27H28N2O3 and molecular weight 428.21 g/mol. IUPAC: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate.
Chemical Property Profile of J3.295.812E
Property Insights of J3.295.812E
The XLogP value of 5.0379 indicates that J3.295.812E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, J3.295.812E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.295.812E has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J3.295.812E?
The CAS number of J3.295.812E is 69758-70-9.
What is the molecular formula of J3.295.812E?
The molecular formula of J3.295.812E is C27H28N2O3.
What is the molecular weight of J3.295.812E?
The molecular weight of J3.295.812E is 428.21 g/mol.
Where can I buy J3.295.812E?
You can request a quote for J3.295.812E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.295.812E?
Yes, KEHONG BIO provides custom synthesis services for J3.295.812E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.