LU 5-046 hydrochloride
TL;DR: LU 5-046 hydrochloride (CAS 26106-21-8) is a chemical compound with molecular formula C17H26ClNO2S and molecular weight 343.13727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Also Known As: LU 5-046 hydrochloride, Benzo(c)thiophene-1-carboxylic acid, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride, 3-(1-methoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C17H26ClNO2S |
| Molecular Weight | 343.13727 g/mol |
| XLogP | -1.03 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.13727 Da |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
| SMILES | CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)OC)C.[Cl-] |
| InChIKey | DXGSFENWLAEDCV-UHFFFAOYSA-N |
Chemical Property Profile of LU 5-046 hydrochloride
Property Insights of LU 5-046 hydrochloride
The XLogP value of -1.03 indicates that LU 5-046 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 5-046 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 5-046 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 5-046 hydrochloride?
The CAS number of LU 5-046 hydrochloride is 26106-21-8.
What is the molecular formula of LU 5-046 hydrochloride?
The molecular formula of LU 5-046 hydrochloride is C17H26ClNO2S.
What is the molecular weight of LU 5-046 hydrochloride?
The molecular weight of LU 5-046 hydrochloride is 343.13727 g/mol.
Where can I buy LU 5-046 hydrochloride?
You can request a quote for LU 5-046 hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for LU 5-046 hydrochloride?
Yes, CoreyChem provides custom synthesis services for LU 5-046 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.