Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride
TL;DR: Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride (CAS 29125-63-1) is a chemical compound with molecular formula C21H22ClNO3 and molecular weight 371.13 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 9H-xanthene-9-carboxylate;hydrochloride
Also Known As: 3- quinuclidinehydrochloride, 3-(9-Xanthenylcarboxy)quinuclidine hydrochloride, Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride, Quinuclidin-3-yl 9H-xanthene-9-carboxylate hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate;hydrochloride
| Molecular Formula | C21H22ClNO3 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.9834 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.1288 |
| Heavy Atoms | 26 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 29125-63-1 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.Cl |
| InChIKey | ZZZIUZYUOQQODJ-UHFFFAOYSA-N |
Product Overview
Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride (CAS 29125-63-1), with molecular formula C21H22ClNO3 and molecular weight 371.13 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate;hydrochloride.
Chemical Property Profile of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride
Property Insights of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride
The XLogP value of 3.9834 indicates that Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride 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 Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride?
The CAS number of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride is 29125-63-1.
What is the molecular formula of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride?
The molecular formula of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride is C21H22ClNO3.
What is the molecular weight of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride?
The molecular weight of Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride is 371.13 g/mol.
Where can I buy Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride?
You can request a quote for Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.