3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester
TL;DR: 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester (CAS 101931-75-3) is a chemical compound with molecular formula C15H25NO3 and molecular weight 267.18 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-propan-2-ylpent-3-enoate
Also Known As: 3-Quinuclidyl isopropyl(cis-1-propentyl)glycolate, 2-Hydroxy-2-isopropyl-3-pentenoic acid 3-quinuclidinyl ester, 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-propan-2-ylpent-3-enoate, RefChem:1068462
| Molecular Formula | C15H25NO3 |
|---|---|
| Molecular Weight | 267.18 g/mol |
| LogP | 1.587 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.18344 |
| Heavy Atoms | 19 |
| Complexity | 358.4022 |
Chemical Identifiers
| CAS Number | 101931-75-3 |
|---|---|
| SMILES | C/C=C/C(C(C)C)(C(=O)OC1CN2CCC1CC2)O |
Product Overview
3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester (CAS 101931-75-3), with molecular formula C15H25NO3 and molecular weight 267.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-propan-2-ylpent-3-enoate.
Chemical Property Profile of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester
Property Insights of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester
The XLogP value of 1.587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 49.77 Ų, 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 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-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester?
The CAS number of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester is 101931-75-3.
What is the molecular formula of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester?
The molecular formula of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester is C15H25NO3.
What is the molecular weight of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester?
The molecular weight of 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester is 267.18 g/mol.
Where can I buy 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester?
You can request a quote for 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 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-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentenoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.