(3S)-azepan-3-amine
TL;DR: (3S)-azepan-3-amine (CAS 107888-02-8) is a chemical compound with molecular formula C36H26N4O4S2 and molecular weight 642.1395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
Also Known As: (3S)-azepan-3-amine, (4E)-4-[[2-[[(E)-(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione, 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-phenyl-5-thioxo-, 4,4'-(1,2-Ethanediylbis(imino(phenylmethylidyne)))bis(1-phenyl-5-thioxo-2,3-pyrrolidinedione), 4-[[2-[[(4,5-dioxo-1-phenyl-2-sulfanylidenepyrrolidin-3-ylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
Technical Specifications
| Molecular Formula | C36H26N4O4S2 |
| Molecular Weight | 642.1395 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 642.1395 Da |
| Heavy Atoms | 46 |
| Complexity | 1210.0 |
| SMILES | C1=CC=C(C=C1)/C(=C/2\C(=S)N(C(=O)C2=O)C3=CC=CC=C3)/NCCN/C(=C\4/C(=S)N(C(=O)C4=O)C5=CC=CC=C5)/C6=CC=CC=C6 |
| InChIKey | RSAUKEJIUNCWBM-QAVVBOBSSA-N |
Chemical Property Profile of (3S)-azepan-3-amine
Property Insights of (3S)-azepan-3-amine
The XLogP value of 7.6 indicates that (3S)-azepan-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting (3S)-azepan-3-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3S)-azepan-3-amine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3S)-azepan-3-amine?
The CAS number of (3S)-azepan-3-amine is 107888-02-8.
What is the molecular formula of (3S)-azepan-3-amine?
The molecular formula of (3S)-azepan-3-amine is C36H26N4O4S2.
What is the molecular weight of (3S)-azepan-3-amine?
The molecular weight of (3S)-azepan-3-amine is 642.1395 g/mol.
Where can I buy (3S)-azepan-3-amine?
You can request a quote for (3S)-azepan-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-azepan-3-amine?
Yes, CoreyChem provides custom synthesis services for (3S)-azepan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.