1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)
TL;DR: 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) (CAS 93101-70-3) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: 3-(Azabicyclo(2.2.2)oct-2-ene)methyl benzilate, 1-AZABICYCLO(2.2.2)OCTENE-3-METHANOL, BENZILATE (ester), Benzilic acid, 1-azabicyclo(2.2.2)octene-3-methyl ester, 1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2,2-di(phenyl)acetate, Benzilic acid [1-azabicyclo[2.2.2]oct-2-en-3-yl]methyl ester
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 93101-70-3 |
|---|---|
| SMILES | C1CN2CCC1C(=C2)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | GNTSUYVDHWLRIS-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) (CAS 93101-70-3), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)
Property Insights of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)
The XLogP value of 3.0 indicates that 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) 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-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)?
The CAS number of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) is 93101-70-3.
What is the molecular formula of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)?
The molecular formula of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) is C22H23NO3.
What is the molecular weight of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)?
The molecular weight of 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) is 349.17 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)?
You can request a quote for 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.