Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-
TL;DR: Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- (CAS 87395-66-2) is a chemical compound with molecular formula C21H22FNO2 and molecular weight 339.16 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-fluoro-2,2-diphenylacetate
Also Known As: (+-)-Diphenylfluoroacetic acid 3-quinuclidinyl ester, ACETIC ACID, DIPHENYLFLUORO-, 3-QUINUCLIDINYL ESTER, (+-)-, 1-Azabicyclo[2.2.2]octan-3-yl fluoro(diphenyl)acetate, 1-Azabicyclo[2.2.2]octan-3-yl fluorodi(phenyl)acetate, 1-azabicyclo[2.2.2]octan-3-yl 2-fluoro-2,2-diphenylacetate
| Molecular Formula | C21H22FNO2 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.16345 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 87395-66-2 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)F |
| InChIKey | JYTMGTTUIXPUMR-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- (CAS 87395-66-2), with molecular formula C21H22FNO2 and molecular weight 339.16 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-fluoro-2,2-diphenylacetate.
Chemical Property Profile of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-
Property Insights of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-
The XLogP value of 4.3 indicates that Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- has 0 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 Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-?
The CAS number of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- is 87395-66-2.
What is the molecular formula of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-?
The molecular formula of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- is C21H22FNO2.
What is the molecular weight of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-?
The molecular weight of Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- is 339.16 g/mol.
Where can I buy Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-?
You can request a quote for Acetic acid, diphenylfluoro-, 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 Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.