RefChem:1084960
TL;DR: RefChem:1084960 (CAS 102395-69-7) is a chemical compound with molecular formula C26H34BrNO2 and molecular weight 471.17728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylate bromide
Also Known As: ISONIPECOTIC ACID, 4-PHENYL-1-(1-PHENYLCYCLOHEXYL)-, ETHYL ESTER, HYDROBROMIDE, 4-Phenyl-4-carbethoxy-1-(1'-phenylcyclohexyl)piperidine hydrobromide, 4-(ethoxycarbonyl)-4-phenyl-1-(1-phenylcyclohexyl)piperidinium bromide, ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidin-1-ium-4-carboxylate bromide, Ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate--hydrogen bromide (1/1)
Technical Specifications
| Molecular Formula | C26H34BrNO2 |
| Molecular Weight | 471.17728 g/mol |
| XLogP | 1.03 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.17728 Da |
| Heavy Atoms | 30 |
| Complexity | 519.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)C2(CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| InChIKey | OLPHDIMRHSRJLO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1084960
Property Insights of RefChem:1084960
The XLogP value of 1.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084960. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1084960 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1084960 has 1 hydrogen bond donor(s) and 3 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:1084960?
The CAS number of RefChem:1084960 is 102395-69-7.
What is the molecular formula of RefChem:1084960?
The molecular formula of RefChem:1084960 is C26H34BrNO2.
What is the molecular weight of RefChem:1084960?
The molecular weight of RefChem:1084960 is 471.17728 g/mol.
Where can I buy RefChem:1084960?
You can request a quote for RefChem:1084960 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1084960?
Yes, CoreyChem provides custom synthesis services for RefChem:1084960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.