PNU-282987 free base
TL;DR: PNU-282987 free base (CAS 123464-89-1) 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-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
Also Known As: PNU-282987 free base, PNU-282987 (free base), Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-, PNU282987.HCl, (R)-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 | 123464-89-1 |
|---|---|
| SMILES | C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
PNU-282987 free base (CAS 123464-89-1), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide.
Chemical Property Profile of PNU-282987 free base
Property Insights of PNU-282987 free base
The XLogP value of 2.164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PNU-282987 free base. With a topological polar surface area (TPSA) of 32.34 Ų, PNU-282987 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PNU-282987 free base 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 PNU-282987 free base?
The CAS number of PNU-282987 free base is 123464-89-1.
What is the molecular formula of PNU-282987 free base?
The molecular formula of PNU-282987 free base is C14H17ClN2O.
What is the molecular weight of PNU-282987 free base?
The molecular weight of PNU-282987 free base is 264.10 g/mol.
Where can I buy PNU-282987 free base?
You can request a quote for PNU-282987 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PNU-282987 free base?
Yes, KEHONG BIO provides custom synthesis services for PNU-282987 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.