N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide
TL;DR: N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide (CAS 120570-08-3) is a chemical compound with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide
Also Known As: Maybridge4_000366, N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-3-chlorobenzamide, N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide, Benzamide,N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-3-chloro, N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide
| Molecular Formula | C14H17ClN2O |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.10294 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 120570-08-3 |
|---|---|
| SMILES | C1CN2CCC1[C@@H](C2)NC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | NFCKUDVYRHEVOM-CYBMUJFWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide (CAS 120570-08-3), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide.
Chemical Property Profile of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide
Property Insights of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide. With a topological polar surface area (TPSA) of 32.3 Ų, N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide has 1 hydrogen bond donor(s) and 2 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 N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide?
The CAS number of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide is 120570-08-3.
What is the molecular formula of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide?
The molecular formula of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide is C14H17ClN2O.
What is the molecular weight of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide?
The molecular weight of N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide is 264.10 g/mol.
Where can I buy N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide?
You can request a quote for N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.