WIN 5334
TL;DR: WIN 5334 (CAS 100311-10-2) is a chemical compound with molecular formula C18H31ClN2O2S and molecular weight 374.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-2-pentoxybenzoyl)sulfanylethyl-diethylazanium chloride
Also Known As: WIN 5334, 4-Amino-2-pentyloxythiobenzoic acid S-2-(diethylamino)ethyl ester hydrochloride, 2-(4-amino-2-pentoxybenzoyl)sulfanylethyl-diethylazanium chloride, Benzoic acid, 4-amino-2-pentyloxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride, 2-(4-amino-2-pentoxybenzoyl)sulfanylethyl-diethylazanium;chloride
| Molecular Formula | C18H31ClN2O2S |
|---|---|
| Molecular Weight | 374.18 g/mol |
| LogP | -0.36 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 374.17947 |
| Heavy Atoms | 24 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 100311-10-2 |
|---|---|
| SMILES | CCCCCOC1=C(C=CC(=C1)N)C(=O)SCC[NH+](CC)CC.[Cl-] |
| InChIKey | PCTWPGWWLUDMBT-UHFFFAOYSA-N |
Product Overview
WIN 5334 (CAS 100311-10-2), with molecular formula C18H31ClN2O2S and molecular weight 374.18 g/mol. IUPAC: 2-(4-amino-2-pentoxybenzoyl)sulfanylethyl-diethylazanium chloride.
Chemical Property Profile of WIN 5334
Property Insights of WIN 5334
The XLogP value of -0.36 indicates that WIN 5334 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 5334. Following Lipinski's Rule of Five, WIN 5334 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 WIN 5334?
The CAS number of WIN 5334 is 100311-10-2.
What is the molecular formula of WIN 5334?
The molecular formula of WIN 5334 is C18H31ClN2O2S.
What is the molecular weight of WIN 5334?
The molecular weight of WIN 5334 is 374.18 g/mol.
Where can I buy WIN 5334?
You can request a quote for WIN 5334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WIN 5334?
Yes, KEHONG BIO provides custom synthesis services for WIN 5334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.