LU 4-003 hydrochloride
TL;DR: LU 4-003 hydrochloride (CAS 22048-55-1) is a chemical compound with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-acetyl-3,3-dimethyl-2-benzofuran-1-yl)propyl-methylazanium chloride
Also Known As: LU 4-003 hydrochloride, 3,3-Dimethyl-1-(3-(methylamino)propyl)-1-phthalanyl methyl ketone hydrochloride, 3-(1-acetyl-3,3-dimethyl-2-benzofuran-1-yl)propyl-methylazanium chloride, Ketone, 3,3-dimethyl-1-(3-(methylamino)propyl)-1-phthalanyl methyl, hydrochloride, RefChem:350405
| Molecular Formula | C16H24ClNO2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | -1.29 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.14957 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 22048-55-1 |
|---|---|
| SMILES | CC(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCC[NH2+]C.[Cl-] |
| InChIKey | IVHJCXDXRZDAHQ-UHFFFAOYSA-N |
Product Overview
LU 4-003 hydrochloride (CAS 22048-55-1), with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol. IUPAC: 3-(1-acetyl-3,3-dimethyl-2-benzofuran-1-yl)propyl-methylazanium chloride.
Chemical Property Profile of LU 4-003 hydrochloride
Property Insights of LU 4-003 hydrochloride
The XLogP value of -1.29 indicates that LU 4-003 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.9 Ų, LU 4-003 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 4-003 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 4-003 hydrochloride?
The CAS number of LU 4-003 hydrochloride is 22048-55-1.
What is the molecular formula of LU 4-003 hydrochloride?
The molecular formula of LU 4-003 hydrochloride is C16H24ClNO2.
What is the molecular weight of LU 4-003 hydrochloride?
The molecular weight of LU 4-003 hydrochloride is 297.15 g/mol.
Where can I buy LU 4-003 hydrochloride?
You can request a quote for LU 4-003 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 4-003 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for LU 4-003 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.