Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester (CAS 62869-66-3) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 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 2-hydroxy-5-methyl-2-phenylhex-3-ynoate
Also Known As: 3-Quinuclidyl phenyl(3-methyl-1-butynyl)glycolate, alpha-(3-Methyl-1-butynyl)mandelic acid 3-quinuclidinyl ester, MANDELIC ACID, alpha-(3-METHYL-1-BUTYNYL)-, 3-QUINUCLIDINYL ESTER, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-3-ynoate, (1s,4s)-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-3-ynoate
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 62869-66-3 |
|---|---|
| SMILES | CC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
| InChIKey | IKFYWULJJZOMAD-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester (CAS 62869-66-3), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhex-3-ynoate.
Chemical Property Profile of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester
The XLogP value of 3.2 indicates that Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(3-methyl-1-butynyl)-, 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 Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester is 62869-66-3.
What is the molecular formula of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester is C20H25NO3.
What is the molecular weight of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester is 327.18 g/mol.
Where can I buy Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-(3-methyl-1-butynyl)-, 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 Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(3-methyl-1-butynyl)-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.