LU 5-071 hydrochloride
TL;DR: LU 5-071 hydrochloride (CAS 29140-42-9) is a chemical compound with molecular formula C21H28ClNO2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Also Known As: LU 5-071 hydrochloride, 1,3-Dihydro-1-phenyl-N,N,3,3-tetramethylbenzo(c)thiophene-1-propylamine 2,2-dioxide HCl, Benzo(c)thiophene-1-propylamine, 1,3-dihydro-1-phenyl-N,N,3,3-tetramethyl-, 2,2-dioxide, hydrochloride, 3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride, RefChem:326324
| Molecular Formula | C21H28ClNO2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.15292 |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 29140-42-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(S1(=O)=O)(CCC[NH+](C)C)C3=CC=CC=C3)C.[Cl-] |
| InChIKey | DTRPTGBAXBLZCE-UHFFFAOYSA-N |
Product Overview
LU 5-071 hydrochloride (CAS 29140-42-9), with molecular formula C21H28ClNO2S and molecular weight 393.15 g/mol. IUPAC: 3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of LU 5-071 hydrochloride
Property Insights of LU 5-071 hydrochloride
The XLogP value of -0.48 indicates that LU 5-071 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.0 Ų, LU 5-071 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 5-071 hydrochloride has 1 hydrogen bond donor(s) and 3 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 LU 5-071 hydrochloride?
The CAS number of LU 5-071 hydrochloride is 29140-42-9.
What is the molecular formula of LU 5-071 hydrochloride?
The molecular formula of LU 5-071 hydrochloride is C21H28ClNO2S.
What is the molecular weight of LU 5-071 hydrochloride?
The molecular weight of LU 5-071 hydrochloride is 393.15 g/mol.
Where can I buy LU 5-071 hydrochloride?
You can request a quote for LU 5-071 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 5-071 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for LU 5-071 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.