Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester (CAS 101711-06-2) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Also Known As: NCI60_022800, 2-Methyl-3-quinuclidyl phenyl(3-methyl-but-1-yn-3-enyl)glycolate, (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate, MANDELIC ACID, alpha-(3-METHYLBUT-1-YN-3-ENYL)-, 2-METHYL-3-QUINUCLIDINYL ESTER, 2-Methyl-1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-methyl-2-phenyl-5-hexen-3-ynoate
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 101711-06-2 |
|---|---|
| SMILES | CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3=CC=CC=C3)O |
| InChIKey | VAZMYEINDVOWBR-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester (CAS 101711-06-2), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate.
Chemical Property Profile of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester
The XLogP value of 3.9 indicates that Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-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-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-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-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester is 101711-06-2.
What is the molecular formula of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester is C21H25NO3.
What is the molecular weight of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester is 339.18 g/mol.
Where can I buy Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-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-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 2-methyl-3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.