alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester

1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbut-3-ynoate

CAS: 92957-17-0

Molecular Formula	`C23H23NO3`
Molecular Weight	361.4 g/mol
LogP	3.7
Topological Polar Surface Area	49.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	361.1678
Heavy Atoms	27
Complexity	585.0

Chemical Identifiers

CAS Number	92957-17-0
SMILES	`C1CN2CCC1C(C2)OC(=O)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O`
InChIKey	`IHKNDYGDKUBCFR-UHFFFAOYSA-N`

📖 Product Overview

alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester (CAS: 92957-17-0) is a chemical compound with molecular formula C23H23NO3 and molecular weight 361.4 g/mol. Its IUPAC systematic name is 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbut-3-ynoate. LogP 3.7 Topological Polar Surface Area 49.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 361.1678 Heavy Atoms 27 Complexity 585.0 InChI Key: IHKNDYGDKUBCFR-UHFFFAOYSA-N. SMILES: C1CN2CCC1C(C2)OC(=O)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O.

🧪

Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

📖

Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester.

Browse Technical Blog →

No research papers found for this product yet.

We continuously update our academic references. Check back soon!