RefChem:1064702
TL;DR: RefChem:1064702 (CAS 142469-78-1) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]ethanamine
Also Known As: (S)-1-Phenyl-N-(2-phenylethyl)-2-pyrrolidinemethanamine fumarate, 2-Pyrrolidinemethanamine, 1-phenyl-N-(2-phenylethyl)-, (S)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]ethanamine
Technical Specifications
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.2049 g/mol |
| XLogP | 3.1995 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.2049 Da |
| Heavy Atoms | 29 |
| Complexity | 398.0 |
| SMILES | C1C[C@H](N(C1)C2=CC=CC=C2)CNCCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | ULALCYGYRHAWDN-UTOQZODRSA-N |
Chemical Property Profile of RefChem:1064702
Property Insights of RefChem:1064702
The XLogP value of 3.1995 indicates that RefChem:1064702 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:1064702. Following Lipinski's Rule of Five, RefChem:1064702 has 3 hydrogen bond donor(s) and 6 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:1064702?
The CAS number of RefChem:1064702 is 142469-78-1.
What is the molecular formula of RefChem:1064702?
The molecular formula of RefChem:1064702 is C23H28N2O4.
What is the molecular weight of RefChem:1064702?
The molecular weight of RefChem:1064702 is 396.2049 g/mol.
Where can I buy RefChem:1064702?
You can request a quote for RefChem:1064702 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064702?
Yes, CoreyChem provides custom synthesis services for RefChem:1064702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.