Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester (CAS 101710-96-7) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 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-3-methyl-2-phenylbut-3-enoate
Also Known As: alpha-Isopropenylmandelic acid 2-methyl-3-quinuclidinyl ester, 2-Methyl-3-quinuclidyl phenyl(isopropenyl)glycolate, NCI60_022799, MANDELIC ACID, alpha-ISOPROPENYL-, 2-METHYL-3-QUINUCLIDINYL ESTER, (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 101710-96-7 |
|---|---|
| SMILES | CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C(=C)C)O |
| InChIKey | XNYLQHTXBORYNP-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester (CAS 101710-96-7), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate.
Chemical Property Profile of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester
The XLogP value of 3.5 indicates that Mandelic acid, alpha-isopropenyl-, 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-isopropenyl-, 2-methyl-3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-isopropenyl-, 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-isopropenyl-, 2-methyl-3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester is 101710-96-7.
What is the molecular formula of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester is C19H25NO3.
What is the molecular weight of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester is 315.18 g/mol.
Where can I buy Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-isopropenyl-, 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-isopropenyl-, 2-methyl-3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.