Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester
TL;DR: Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester (CAS 101077-06-9) 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.
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
Also Known As: 3-Quinuclidyl benzylcyclopropylglycolate, alpha-Benzylcyclopropaneglycolic acid 3-quinuclidinyl ester, NCI60_022678, CYCLOPROPANEGLYCOLIC ACID, alpha-BENZYL-, 3-QUINUCLIDINYL ESTER, 1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 101077-06-9 |
|---|---|
| SMILES | C1CC1C(CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O |
| InChIKey | CFCSBBISFREYTC-UHFFFAOYSA-N |
Product Overview
Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester (CAS 101077-06-9), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopropyl-2-hydroxy-3-phenylpropanoate.
Chemical Property Profile of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester
Property Insights of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropaneglycolic acid, alpha-benzyl-, 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 Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester?
The CAS number of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester is 101077-06-9.
What is the molecular formula of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester?
The molecular formula of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester is C19H25NO3.
What is the molecular weight of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester?
The molecular weight of Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester is 315.18 g/mol.
Where can I buy Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester?
You can request a quote for Cyclopropaneglycolic acid, alpha-benzyl-, 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 Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropaneglycolic acid, alpha-benzyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.