(3S)-azepan-3-amine
TL;DR: (3S)-azepan-3-amine (CAS 107888-00-6) is a chemical compound with molecular formula C36H24Br2N4O4S2 and molecular weight 797.9606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-1-(4-bromophenyl)-4-[[2-[[(E)-[1-(4-bromophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione
Also Known As: (3S)-azepan-3-amine, (4E)-1-(4-bromophenyl)-4-[[2-[[(E)-[1-(4-bromophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione, 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(4-bromophenyl)-5-thioxo-, 1-(4-bromophenyl)-4-[[2-[[[1-(4-bromophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione
Technical Specifications
| Molecular Formula | C36H24Br2N4O4S2 |
| Molecular Weight | 797.9606 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 797.9606 Da |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
| SMILES | C1=CC=C(C=C1)/C(=C/2\C(=S)N(C(=O)C2=O)C3=CC=C(C=C3)Br)/NCCN/C(=C\4/C(=S)N(C(=O)C4=O)C5=CC=C(C=C5)Br)/C6=CC=CC=C6 |
| InChIKey | RAOCEYFQTBSZGD-QAVVBOBSSA-N |
Product Description
Applications: (3S)-azepan-3-amine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, (3S)-azepan-3-amine (CAS 107888-00-6) has the molecular formula C36H24Br2N4O4S2 and a molecular weight of 797.96 g/mol. Synonyms include (3S)-azepan-3-amine and (4E)-1-(4-bromophenyl)-4-[[2-[[(E)-[1-(4-bromophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (3S)-azepan-3-amine
Property Insights of (3S)-azepan-3-amine
The XLogP value of 9.0 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 107888-00-6.
What is the molecular formula of (3S)-azepan-3-amine?
The molecular formula of (3S)-azepan-3-amine is C36H24Br2N4O4S2.
What is the molecular weight of (3S)-azepan-3-amine?
The molecular weight of (3S)-azepan-3-amine is 797.9606 g/mol.
What are the applications of (3S)-azepan-3-amine?
(3S)-azepan-3-amine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
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.