RefChem:1054047
TL;DR: RefChem:1054047 (CAS 63957-03-9) is a chemical compound with molecular formula C27H28ClNO2 and molecular weight 433.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(2-phenylethyl)piperidin-1-ium-4-yl] 9H-fluorene-9-carboxylate chloride
Also Known As: 4-(N-Phenethylpiperidyl)-9-fluorenecarboxylate hydrochloride, (1-phenethylpiperidin-1-ium-4-yl) 9H-fluorene-9-carboxylate chloride, FLUORENE-9-CARBOXYLIC ACID, 4-(N-PHENETHYLPIPERIDYL) ESTER, HYDROCHLORIDE, (1-Phenethylpiperidin-1-ium-4-yl)9h-fluorene-9-carboxylate chloride, 1-(2-Phenylethyl)piperidin-4-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C27H28ClNO2 |
| Molecular Weight | 433.18085 g/mol |
| XLogP | 0.64 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.18085 Da |
| Heavy Atoms | 31 |
| Complexity | 541.0 |
| SMILES | C1C[NH+](CCC1OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)CCC5=CC=CC=C5.[Cl-] |
| InChIKey | FHAFDHUYIWKBCE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1054047
Property Insights of RefChem:1054047
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054047. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1054047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054047 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:1054047?
The CAS number of RefChem:1054047 is 63957-03-9.
What is the molecular formula of RefChem:1054047?
The molecular formula of RefChem:1054047 is C27H28ClNO2.
What is the molecular weight of RefChem:1054047?
The molecular weight of RefChem:1054047 is 433.18085 g/mol.
Where can I buy RefChem:1054047?
You can request a quote for RefChem:1054047 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1054047?
Yes, CoreyChem provides custom synthesis services for RefChem:1054047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.