LU 5-044 hydrochloride
TL;DR: LU 5-044 hydrochloride (CAS 26106-22-9) is a chemical compound with molecular formula C22H29ClN2OS and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethylazanium chloride
Also Known As: LU 5-044 hydrochloride, 1,3-Dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)benzo(c)thiophene-1-carboxanilide HCl, Benzo(c)thiophene-1-carboxanilide, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride, 3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethylazanium chloride, RefChem:351420
| Molecular Formula | C22H29ClN2OS |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 0.43 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1689 |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 26106-22-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(S1)(CCC[NH+](C)C)C(=O)NC3=CC=CC=C3)C.[Cl-] |
| InChIKey | QZOHYRCCXGSZHK-UHFFFAOYSA-N |
Product Overview
LU 5-044 hydrochloride (CAS 26106-22-9), with molecular formula C22H29ClN2OS and molecular weight 404.17 g/mol. IUPAC: 3-[3,3-dimethyl-1-(phenylcarbamoyl)-2-benzothiophen-1-yl]propyl-dimethylazanium chloride.
Chemical Property Profile of LU 5-044 hydrochloride
Property Insights of LU 5-044 hydrochloride
The XLogP value of 0.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LU 5-044 hydrochloride. With a topological polar surface area (TPSA) of 58.8 Ų, LU 5-044 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 5-044 hydrochloride has 2 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 5-044 hydrochloride?
The CAS number of LU 5-044 hydrochloride is 26106-22-9.
What is the molecular formula of LU 5-044 hydrochloride?
The molecular formula of LU 5-044 hydrochloride is C22H29ClN2OS.
What is the molecular weight of LU 5-044 hydrochloride?
The molecular weight of LU 5-044 hydrochloride is 404.17 g/mol.
Where can I buy LU 5-044 hydrochloride?
You can request a quote for LU 5-044 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 5-044 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for LU 5-044 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.