3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester
TL;DR: 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester (CAS 92956-21-3) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21 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 (E)-2-hydroxy-2-phenyloct-3-enoate
Also Known As: 3-Quinuclidyl phenyl(cis-1-hexenyl)glycolate, 2-Hydroxy-2-phenyl-3-octenoic acid 3-quinuclidinyl ester, 3-OCTENOIC ACID, 2-HYDROXY-2-PHENYL-, 3-QUINUCLIDINYL ESTER, quinuclidin-3-yl (E)-2-hydroxy-2-phenyl-oct-3-enoate, 1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenyl-3-octenoate
| Molecular Formula | C21H29NO3 |
|---|---|
| Molecular Weight | 343.21 g/mol |
| LogP | 3.258 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.21475 |
| Heavy Atoms | 25 |
| Complexity | 592.4185 |
Chemical Identifiers
| CAS Number | 92956-21-3 |
|---|---|
| SMILES | CCCC/C=C/C(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
Product Overview
3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester (CAS 92956-21-3), with molecular formula C21H29NO3 and molecular weight 343.21 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenyloct-3-enoate.
Chemical Property Profile of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester
Property Insights of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester
The XLogP value of 3.258 indicates that 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl 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 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester?
The CAS number of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester is 92956-21-3.
What is the molecular formula of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester?
The molecular formula of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester is C21H29NO3.
What is the molecular weight of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester?
The molecular weight of 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester is 343.21 g/mol.
Where can I buy 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester?
You can request a quote for 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.