Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester (CAS 101710-95-6) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 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-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate
Also Known As: 3-Quinuclidyl 3,4-dimethoxyphenyl(isopropenyl)glycolate, 1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate, Mandelic acid, 3,4-dimethoxy-alpha-isopropenyl-, 3-quinuclidinyl ester, MANDELIC ACID, alpha-ISOPROPENYL-3,4-DIMETHOXY-, 3-QUINUCLIDINYL ESTER, Benzeneacetic acid, a-hydroxy-3,4-dimethoxy-a-(1-methylethenyl)-,1-azabicyclo[2.2.2]oct-3-yl ester
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 101710-95-6 |
|---|---|
| SMILES | CC(=C)C(C1=CC(=C(C=C1)OC)OC)(C(=O)OC2CN3CCC2CC3)O |
| InChIKey | BNBJDLBOPYZXIM-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester (CAS 101710-95-6), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbut-3-enoate.
Chemical Property Profile of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester
The XLogP value of 3.0 indicates that Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester. Following Lipinski's Rule of Five, Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester has 1 hydrogen bond donor(s) and 6 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-3,4-dimethoxy-, 3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester is 101710-95-6.
What is the molecular formula of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester is C20H27NO5.
What is the molecular weight of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester is 361.19 g/mol.
Where can I buy Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 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-3,4-dimethoxy-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-isopropenyl-3,4-dimethoxy-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.