LU 5-042 hydrochloride
TL;DR: LU 5-042 hydrochloride (CAS 26106-16-1) is a chemical compound with molecular formula C18H28ClNO2S and molecular weight 357.15292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Also Known As: LU 5-042 hydrochloride, Benzo(c)thiophene-1-carboxylic acid, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, ethyl ester, hydrochloride, 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C18H28ClNO2S |
| Molecular Weight | 357.15292 g/mol |
| XLogP | -0.64 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.15292 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | CCOC(=O)C1(C2=CC=CC=C2C(S1)(C)C)CCC[NH+](C)C.[Cl-] |
| InChIKey | CDCQMRSEXDFGDX-UHFFFAOYSA-N |
Chemical Property Profile of LU 5-042 hydrochloride
Property Insights of LU 5-042 hydrochloride
The XLogP value of -0.64 indicates that LU 5-042 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.0 Ų, LU 5-042 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 5-042 hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of LU 5-042 hydrochloride?
The CAS number of LU 5-042 hydrochloride is 26106-16-1.
What is the molecular formula of LU 5-042 hydrochloride?
The molecular formula of LU 5-042 hydrochloride is C18H28ClNO2S.
What is the molecular weight of LU 5-042 hydrochloride?
The molecular weight of LU 5-042 hydrochloride is 357.15292 g/mol.
Where can I buy LU 5-042 hydrochloride?
You can request a quote for LU 5-042 hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for LU 5-042 hydrochloride?
Yes, CoreyChem provides custom synthesis services for LU 5-042 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.