Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- (CAS 87395-62-8) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 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 3,4,5-trimethoxybenzoate
Also Known As: (+-)-3,4,5-Trimethoxybenzoic acid 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]oct-3-yl 3,4,5-trimethoxybenzoate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-QUINUCLIDINYL ESTER, (+-)-, 1-azabicyclo[2.2.2]octan-3-yl 3,4,5-trimethoxybenzoate, BRN 1400199
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 87395-62-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2CN3CCC2CC3 |
| InChIKey | QTZICPYJFRDZEN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- (CAS 87395-62-8), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-. With a topological polar surface area (TPSA) of 57.2 Ų, Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- has 0 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 Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- is 87395-62-8.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- is C17H23NO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- is 321.16 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 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 Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 3-quinuclidinyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.