RefChem:349720
TL;DR: RefChem:349720 (CAS 14120-78-6) is a chemical compound with molecular formula C31H36ClNO2 and molecular weight 489.24347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-1-ium-4-carboxylate chloride
Also Known As: Isonipecotic acid, 1-(2-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)ethyl)-4-phenyl-, ethyl ester, hydrochloride, ISONIPECOTIC ACID, 1-(2-(10,11-DIHYDRO-5H-DIBENZO(a,d)CYCLOHEPTEN-5-YL)ETHYL)-4-, 4-Piperidinecarboxylic acid, 1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)ethyl]-4-phenyl-, ethyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C31H36ClNO2 |
| Molecular Weight | 489.24347 g/mol |
| XLogP | 1.49 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.24347 Da |
| Heavy Atoms | 35 |
| Complexity | 624.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5.[Cl-] |
| InChIKey | XFTRVYGFZLNZEZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349720
Property Insights of RefChem:349720
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349720. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:349720 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349720 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:349720?
The CAS number of RefChem:349720 is 14120-78-6.
What is the molecular formula of RefChem:349720?
The molecular formula of RefChem:349720 is C31H36ClNO2.
What is the molecular weight of RefChem:349720?
The molecular weight of RefChem:349720 is 489.24347 g/mol.
Where can I buy RefChem:349720?
You can request a quote for RefChem:349720 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349720?
Yes, CoreyChem provides custom synthesis services for RefChem:349720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.