TL;DR: RefChem:1064703 (CAS 142469-74-7) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine;(E)-but-2-enedioic acid
Also Known As: (-)-1-Phenyl-N-(phenylmethyl)-2-pyrrolidinemethanamine fumarate, 2-Pyrrolidinemethanamine, 1-phenyl-N-(phenylmethyl)-, (-)-, (E)-2-butenedioate (1:1), N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine; (E)-but-2-enedioic acid
| Molecular Formula | C22H26N2O4 |
| Molecular Weight | 382.18927 g/mol |
| XLogP | 3.157 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.18927 Da |
| Heavy Atoms | 28 |
| Complexity | 386.0 |
| SMILES | C1CC(N(C1)C2=CC=CC=C2)CNCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | WJPODEQPKZTIRJ-WLHGVMLRSA-N |
The XLogP value of 3.157 indicates that RefChem:1064703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064703. Following Lipinski's Rule of Five, RefChem:1064703 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1064703 is 142469-74-7.
The molecular formula of RefChem:1064703 is C22H26N2O4.
The molecular weight of RefChem:1064703 is 382.18927 g/mol.
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