RefChem:351916
TL;DR: RefChem:351916 (CAS 101756-42-7) is a chemical compound with molecular formula C25H32ClNO3 and molecular weight 429.20706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-azoniabicyclo[3.2.2]nonan-3-yl)ethyl 2-hydroxy-2,3-diphenylpropanoate chloride
Also Known As: Mandelic acid, alpha-benzyl-, 2-(3-azabicyclo(3.2.2)non-3-yl)ethyl ester, hydrochloride, 2-(3-Azabicyclo(3.2.2)non-3-yl)ethyl benzylphenylglycolate hydrohloride, alpha-Benzylmandelic acid 2-(3-azabicyclo(3.3.2)non-3-yl)ethyl ester hydrochloride, 2-(3-Azoniabicyclo[3.2.2]nonan-3-yl)ethyl2-hydroxy-2,3-diphenylpropanoate chloride, 2-(3-azoniabicyclo[3.2.2]nonan-3-yl)ethyl2-hydroxy-2,3-diphenylpropanoate
Technical Specifications
| Molecular Formula | C25H32ClNO3 |
| Molecular Weight | 429.20706 g/mol |
| XLogP | -0.63 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.20706 Da |
| Heavy Atoms | 30 |
| Complexity | 504.0 |
| SMILES | C1CC2CCC1C[NH+](C2)CCOC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | AILDXWPIPAVOAL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:351916
Property Insights of RefChem:351916
The XLogP value of -0.63 indicates that RefChem:351916 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:351916 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351916 has 2 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 RefChem:351916?
The CAS number of RefChem:351916 is 101756-42-7.
What is the molecular formula of RefChem:351916?
The molecular formula of RefChem:351916 is C25H32ClNO3.
What is the molecular weight of RefChem:351916?
The molecular weight of RefChem:351916 is 429.20706 g/mol.
Where can I buy RefChem:351916?
You can request a quote for RefChem:351916 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:351916?
Yes, CoreyChem provides custom synthesis services for RefChem:351916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.