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N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide
TL;DR: N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide (CAS 711085-63-1) 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-(1-azabicyclo[2.2.2]octan-3-yl)-4-chlorobenzamide
Also Known As: PNU-282987 S-Enantiomer, PNU-282987 (free base), PNU-282987 S enantiomer free base, PNU-282,987, 4-chloro-N-quinuclidin-3-yl-benzamide
| Molecular Formula | C14H17ClN2O |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 2.164 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.10294 |
| Heavy Atoms | 18 |
| Complexity | 437.61215 |
Chemical Identifiers
| CAS Number | 711085-63-1 |
|---|---|
| SMILES | C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide (CAS 711085-63-1), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chlorobenzamide.
Chemical Property Profile of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide
Property Insights of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide
The XLogP value of 2.164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide. With a topological polar surface area (TPSA) of 32.34 Ų, N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-azabicyclo[2.2.2]oct-3-yl)-4-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-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide?
The CAS number of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide is 711085-63-1.
What is the molecular formula of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide?
The molecular formula of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide is C14H17ClN2O.
What is the molecular weight of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide?
The molecular weight of N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide is 264.10 g/mol.
Where can I buy N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide?
You can request a quote for N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-azabicyclo[2.2.2]oct-3-yl)-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.