![1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate structure](/static/products/1017/101711-16-4.webp)
1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate
TL;DR: 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate (CAS 101711-16-4) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate
Also Known As: alpha-Propenylmandelic acid 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenylpent-3-e, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 101711-16-4 |
|---|---|
| SMILES | CC=CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
| InChIKey | KXULHOPQKUGNIO-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate (CAS 101711-16-4), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate.
Chemical Property Profile of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate
Property Insights of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate 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]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate?
The CAS number of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate is 101711-16-4.
What is the molecular formula of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate?
The molecular formula of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate is C18H23NO3.
What is the molecular weight of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate?
The molecular weight of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate is 301.17 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate?
You can request a quote for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate 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]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.