6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate
TL;DR: 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate (CAS 61098-60-0) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1-phenyl-6-prop-2-enyl-6-azabicyclo[3.2.1]octane
Also Known As: (+-)-1-Phenyl-6-(2-propenyl)-6-azabicyclo(3.2.1)octane, 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate, oxalic acid; 5-phenyl-7-prop-2-enyl-7-azabicyclo[3.2.1]octane, Oxalic acid--1-phenyl-6-(prop-2-en-1-yl)-6-azabicyclo[3.2.1]octane (1/1), RefChem:307184
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.5242 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 559.6441 |
Chemical Identifiers
| CAS Number | 61098-60-0 |
|---|---|
| SMILES | C=CCN1CC2(CCCC1C2)C3=CC=CC=C3.C(=O)(C(=O)O)O |
Product Overview
6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate (CAS 61098-60-0), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: oxalic acid;1-phenyl-6-prop-2-enyl-6-azabicyclo[3.2.1]octane.
Chemical Property Profile of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate
Property Insights of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate
The XLogP value of 2.5242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate. Following Lipinski's Rule of Five, 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate has 2 hydrogen bond donor(s) and 3 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 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate?
The CAS number of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate is 61098-60-0.
What is the molecular formula of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate?
The molecular formula of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate is C18H23NO4.
What is the molecular weight of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate?
The molecular weight of 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate is 317.16 g/mol.
Where can I buy 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate?
You can request a quote for 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 6-Azabicyclo(3.2.1)octane, 1-phenyl-6-(2-propenyl)-, (+-)-, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.