(1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride
TL;DR: (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride (CAS 1052516-29-6) is a chemical compound with molecular formula C14H17Cl2NO2 and molecular weight 301.06363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl 3-chlorobenzoate;hydrochloride
Also Known As: (1s,4s)-quinuclidin-3-yl 3-chlorobenzoate hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 3-chlorobenzoate hydrochloride, 1-azoniabicyclo[2.2.2]octan-3-yl 3-chlorobenzoate;chloride, REGID_for_CID_2911586
Technical Specifications
| Molecular Formula | C14H17Cl2NO2 |
| Molecular Weight | 301.06363 g/mol |
| XLogP | 3.0128 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.06363 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C3=CC(=CC=C3)Cl.Cl |
| InChIKey | WSJPSVJULWPMBD-UHFFFAOYSA-N |
Chemical Property Profile of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride
Property Insights of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride
The XLogP value of 3.0128 indicates that (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate 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
What is the CAS number of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride?
The CAS number of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride is 1052516-29-6.
What is the molecular formula of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride?
The molecular formula of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride is C14H17Cl2NO2.
What is the molecular weight of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride?
The molecular weight of (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride is 301.06363 g/mol.
Where can I buy (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride?
You can request a quote for (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for (1s,4s)-Quinuclidin-3-yl 3-chlorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.