WIN 3800
TL;DR: WIN 3800 (CAS 100811-80-1) is a chemical compound with molecular formula C17H29ClN2O2S and molecular weight 360.16382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-amino-2-butoxybenzoyl)sulfanylethyl-diethylazanium chloride
Also Known As: WIN 3800, 4-Amino-2-butoxythiobenzoic acid S-(2-(diethylamino)ethyl) ester hydrochloride, 2-[(4-amino-2-butoxybenzoyl)sulfanyl]-n,n-diethylethanaminium chloride, 2-(4-amino-2-butoxybenzoyl)sulfanylethyl-diethylazanium chloride, Benzoic acid, 4-amino-2-butoxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride
Technical Specifications
| Molecular Formula | C17H29ClN2O2S |
| Molecular Weight | 360.16382 g/mol |
| XLogP | -0.75 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 360.16382 Da |
| Heavy Atoms | 23 |
| Complexity | 311.0 |
| SMILES | CCCCOC1=C(C=CC(=C1)N)C(=O)SCC[NH+](CC)CC.[Cl-] |
| InChIKey | MOYXUPSBGLYMCD-UHFFFAOYSA-N |
Chemical Property Profile of WIN 3800
Property Insights of WIN 3800
The XLogP value of -0.75 indicates that WIN 3800 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for WIN 3800. Following Lipinski's Rule of Five, WIN 3800 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
What is the CAS number of WIN 3800?
The CAS number of WIN 3800 is 100811-80-1.
What is the molecular formula of WIN 3800?
The molecular formula of WIN 3800 is C17H29ClN2O2S.
What is the molecular weight of WIN 3800?
The molecular weight of WIN 3800 is 360.16382 g/mol.
Where can I buy WIN 3800?
You can request a quote for WIN 3800 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for WIN 3800?
Yes, CoreyChem provides custom synthesis services for WIN 3800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.