Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester
TL;DR: Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester (CAS 93101-82-7) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-hydroxy-3-methyl-2-phenylbutanoate
Also Known As: alpha-Isopropylmandelic acid 2-(3-quinuclidinylene)ethyl ester, MANDELIC ACID, alpha-ISOPROPYL-, 2-(3-QUINUCLIDINYLENE)ETHYL ESTER, delta(sup 3,beta)-Quinuclidineethyl-alpha-isopropyl-alpha-phenylglycolate, [(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-hydroxy-3-methyl-2-phenylbutanoate, 2-{1-azabicyclo[2.2.2]octan-3-ylidene}ethyl 2-hydroxy-3-methyl-2-phenylbutanoate
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 2.7254 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 602.56976 |
Chemical Identifiers
| CAS Number | 93101-82-7 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OC/C=C\2/CN3CCC2CC3)O |
Product Overview
Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester (CAS 93101-82-7), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: [(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)ethyl] 2-hydroxy-3-methyl-2-phenylbutanoate.
Chemical Property Profile of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester
Property Insights of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester
The XLogP value of 2.7254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester. With a topological polar surface area (TPSA) of 49.77 Ų, Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl 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 Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester?
The CAS number of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester is 93101-82-7.
What is the molecular formula of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester?
The molecular formula of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester is C20H27NO3.
What is the molecular weight of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester?
The molecular weight of Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester is 329.20 g/mol.
Where can I buy Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester?
You can request a quote for Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-isopropyl-, 2-(3-quinuclidinylene)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.