![1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate structure](/static/products/6516/6516-59-2.webp)
1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate
TL;DR: 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate (CAS 6516-59-2) is a chemical compound with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate
Also Known As: 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate, 1-(5-benzyl-3-carbamoyl-5-azabicyclo[2.2.2]oct-2-en-8-yl)eth, 1-(5-benzyl-3-carbamoyl-5-azabicyclo[2.2.2]oct-2-en-8-yl)ethyl acetate
| Molecular Formula | C19H24N2O3 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.17868 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 6516-59-2 |
|---|---|
| SMILES | CC(C1CC2CN(C1C(=C2)C(=O)N)CC3=CC=CC=C3)OC(=O)C |
| InChIKey | HMLLZFGOJFPSBR-UHFFFAOYSA-N |
Product Overview
1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate (CAS 6516-59-2), with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol. IUPAC: 1-(2-benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate.
Chemical Property Profile of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate
Property Insights of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate. Following Lipinski's Rule of Five, 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate has 1 hydrogen bond donor(s) and 4 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 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate?
The CAS number of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate is 6516-59-2.
What is the molecular formula of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate?
The molecular formula of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate is C19H24N2O3.
What is the molecular weight of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate?
The molecular weight of 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate is 328.18 g/mol.
Where can I buy 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate?
You can request a quote for 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzyl-7-carbamoyl-2-azabicyclo[2.2.2]oct-7-en-6-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.