9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester
TL;DR: 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester (CAS 29125-65-3) is a chemical compound with molecular formula C22H23NO2 and molecular weight 333.17 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 9,10-dihydroanthracene-9-carboxylate
Also Known As: 3-Quinuclidinyl 9,10-dihydro-9-anthroate, 3-(9,10-Dihydro-9-anthracenylcarboxy)quinuclidine, 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester, 1-azabicyclo[2.2.2]octan-3-yl 9,10-dihydroanthracene-9-carboxylate, RefChem:312951
| Molecular Formula | C22H23NO2 |
|---|---|
| Molecular Weight | 333.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.17288 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 29125-65-3 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35 |
| InChIKey | DCVFVRXNLHLACD-UHFFFAOYSA-N |
Product Overview
9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester (CAS 29125-65-3), with molecular formula C22H23NO2 and molecular weight 333.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 9,10-dihydroanthracene-9-carboxylate.
Chemical Property Profile of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester
Property Insights of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester
The XLogP value of 4.0 indicates that 9-Anthroic acid, 9,10-dihydro-, 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, 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester has 0 hydrogen bond donor(s) and 3 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 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester?
The CAS number of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester is 29125-65-3.
What is the molecular formula of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester?
The molecular formula of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester is C22H23NO2.
What is the molecular weight of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester?
The molecular weight of 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester is 333.17 g/mol.
Where can I buy 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester?
You can request a quote for 9-Anthroic acid, 9,10-dihydro-, 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 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9-Anthroic acid, 9,10-dihydro-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.