(3S)-azepan-3-amine
TL;DR: (3S)-azepan-3-amine (CAS 107888-04-0) is a chemical compound with molecular formula C23H19Cl2N3O2S and molecular weight 471.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2-aminoethylamino)-naphthalen-2-ylmethylidene]-1-(4-chlorophenyl)-5-sulfanylidenepyrrolidine-2,3-dione;hydrochloride
Also Known As: (3S)-azepan-3-amine, 2,3-Pyrrolidinedione, 4-(((2-aminoethyl)amino)-2-naphthalenylmethylene)-1-(4-chlorophenyl)-5-thioxo-, monohydrochloride, (4E)-4-[(2-Aminoethylamino)-naphthalen-2-ylmethylidene]-1-(4-chlorophenyl)-5-sulfanylidenepyrrolidine-2,3-dione;hydrochloride, (4E)-4-[(2-aminoethylamino)-naphthalen-2-ylmethylidene]-1-(4-chlorophenyl)-5-sulfanylidenepyrrolidine-2,3-dione hydrochloride, (4E)-4-[(2-aminoethylamino)-naphthalen-2-ylmethylidene]-1-(4-chlorophenyl)-5-sulfanylidenepyrrolidine-2,3-dione,hydrochloride
| Molecular Formula | C23H19Cl2N3O2S |
|---|---|
| Molecular Weight | 471.06 g/mol |
| LogP | 4.1177 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.0575 |
| Heavy Atoms | 31 |
| Complexity | 1208.927 |
Chemical Identifiers
| CAS Number | 107888-04-0 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)/C(=C\3/C(=O)C(=O)N(C3=S)C4=CC=C(C=C4)Cl)/NCCN.Cl |
Product Overview
(3S)-azepan-3-amine (CAS 107888-04-0), with molecular formula C23H19Cl2N3O2S and molecular weight 471.06 g/mol. IUPAC: (4E)-4-[(2-aminoethylamino)-naphthalen-2-ylmethylidene]-1-(4-chlorophenyl)-5-sulfanylidenepyrrolidine-2,3-dione;hydrochloride.
Chemical Property Profile of (3S)-azepan-3-amine
Property Insights of (3S)-azepan-3-amine
The XLogP value of 4.1177 indicates that (3S)-azepan-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-azepan-3-amine. Following Lipinski's Rule of Five, (3S)-azepan-3-amine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S)-azepan-3-amine?
The CAS number of (3S)-azepan-3-amine is 107888-04-0.
What is the molecular formula of (3S)-azepan-3-amine?
The molecular formula of (3S)-azepan-3-amine is C23H19Cl2N3O2S.
What is the molecular weight of (3S)-azepan-3-amine?
The molecular weight of (3S)-azepan-3-amine is 471.06 g/mol.
Where can I buy (3S)-azepan-3-amine?
You can request a quote for (3S)-azepan-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-azepan-3-amine?
Yes, KEHONG BIO provides custom synthesis services for (3S)-azepan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.