RefChem:1087639
TL;DR: RefChem:1087639 (CAS 15991-51-2) is a chemical compound with molecular formula C29H32ClNO3 and molecular weight 477.20706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(2-oxo-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(3,3-diphenyl-2-oxopropyl)-4-phenyl-, ethyl ester, hydrochloride, 1-(3,3-Diphenyl-2-propanonyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, ethyl 1-(2-oxo-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride, Isonipecotic acid, 1-(3,3-diphenylacetonyl)-4-phenyl-, ethyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C29H32ClNO3 |
| Molecular Weight | 477.20706 g/mol |
| XLogP | 0.57 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.20706 Da |
| Heavy Atoms | 34 |
| Complexity | 603.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | FSNVODMKTHKAHE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1087639
Property Insights of RefChem:1087639
The XLogP value of 0.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087639. With a topological polar surface area (TPSA) of 47.8 Ų, RefChem:1087639 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1087639 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 RefChem:1087639?
The CAS number of RefChem:1087639 is 15991-51-2.
What is the molecular formula of RefChem:1087639?
The molecular formula of RefChem:1087639 is C29H32ClNO3.
What is the molecular weight of RefChem:1087639?
The molecular weight of RefChem:1087639 is 477.20706 g/mol.
Where can I buy RefChem:1087639?
You can request a quote for RefChem:1087639 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1087639?
Yes, CoreyChem provides custom synthesis services for RefChem:1087639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.