3-Quinuclidinyl atrolactate
TL;DR: 3-Quinuclidinyl atrolactate (CAS 107757-79-9) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 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-2-phenylpropanoate
Also Known As: 3-Quinuclidinyl atrolactate, (R)-QNA, Atrolactic acid 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpropanoate, 3-(1-Azabicyclo(2.2.2)octyl) 2-hydroxy-2-phenylpropionate
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 107757-79-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O |
| InChIKey | JOWTXKLQSINMKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Quinuclidinyl atrolactate (CAS 107757-79-9), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 3-Quinuclidinyl atrolactate
Property Insights of 3-Quinuclidinyl atrolactate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinuclidinyl atrolactate. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Quinuclidinyl atrolactate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinyl atrolactate 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 3-Quinuclidinyl atrolactate?
The CAS number of 3-Quinuclidinyl atrolactate is 107757-79-9.
What is the molecular formula of 3-Quinuclidinyl atrolactate?
The molecular formula of 3-Quinuclidinyl atrolactate is C16H21NO3.
What is the molecular weight of 3-Quinuclidinyl atrolactate?
The molecular weight of 3-Quinuclidinyl atrolactate is 275.15 g/mol.
Where can I buy 3-Quinuclidinyl atrolactate?
You can request a quote for 3-Quinuclidinyl atrolactate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinyl atrolactate?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinyl atrolactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.