RefChem:211495
TL;DR: RefChem:211495 (CAS 101931-40-2) is a chemical compound with molecular formula C16H23ClN2O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one chloride
Also Known As: N-658, 1(2H)-Naphthalenone, 3,4-dihydro-2-((4-methyl-1-piperazinyl)methyl)-, hydrochloride, 3,4-Dihydro-2-((4-methyl-1-piperazinyl)methyl)-1(2H)-naphthalenone hydrochloride, 1-methyl-4-[(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperazin-1-ium chloride, 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one chloride
| Molecular Formula | C16H23ClN2O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | -2.73 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.1499 |
| Heavy Atoms | 20 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 101931-40-2 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)CC2CCC3=CC=CC=C3C2=O.[Cl-] |
| InChIKey | LFWILRTVGVSNBK-UHFFFAOYSA-N |
Product Overview
RefChem:211495 (CAS 101931-40-2), with molecular formula C16H23ClN2O and molecular weight 294.15 g/mol. IUPAC: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one chloride.
Chemical Property Profile of RefChem:211495
Property Insights of RefChem:211495
The XLogP value of -2.73 indicates that RefChem:211495 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:211495 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:211495 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 RefChem:211495?
The CAS number of RefChem:211495 is 101931-40-2.
What is the molecular formula of RefChem:211495?
The molecular formula of RefChem:211495 is C16H23ClN2O.
What is the molecular weight of RefChem:211495?
The molecular weight of RefChem:211495 is 294.15 g/mol.
Where can I buy RefChem:211495?
You can request a quote for RefChem:211495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:211495?
Yes, KEHONG BIO provides custom synthesis services for RefChem:211495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.