RefChem:349742
TL;DR: RefChem:349742 (CAS 102395-70-0) is a chemical compound with molecular formula C35H40N2O3 and molecular weight 536.3039 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenyl-1-[4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]phenyl]piperidine-4-carboxylate
Also Known As: Ethyl 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)isonipecotate, Isonipecotic acid, 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)-, ethyl ester, ethyl 4-phenyl-1-[4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]phenyl]piperidine-4-carboxylate, ethyl 4-phenyl-1-{4-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butanoyl]phenyl}piperidine-4-carboxylate, ETHYL4-PHENYL-1-[4-[4-(4-PHENYL-3,6-DIHYDRO-2H-PYRIDIN-1-YL)BUTANOYL]PHENYL]PIPERIDINE-4-CARBOXYLATE
Technical Specifications
| Molecular Formula | C35H40N2O3 |
| Molecular Weight | 536.3039 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 536.3039 Da |
| Heavy Atoms | 40 |
| Complexity | 841.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)C2=CC=C(C=C2)C(=O)CCCN3CCC(=CC3)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | TZKLOSMKBJLQIO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:349742
Property Insights of RefChem:349742
The XLogP value of 6.1 indicates that RefChem:349742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, RefChem:349742 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349742 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:349742?
The CAS number of RefChem:349742 is 102395-70-0.
What is the molecular formula of RefChem:349742?
The molecular formula of RefChem:349742 is C35H40N2O3.
What is the molecular weight of RefChem:349742?
The molecular weight of RefChem:349742 is 536.3039 g/mol.
Where can I buy RefChem:349742?
You can request a quote for RefChem:349742 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:349742?
Yes, CoreyChem provides custom synthesis services for RefChem:349742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.