RefChem:211523
TL;DR: RefChem:211523 (CAS 93901-89-4) is a chemical compound with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
Also Known As: N-688, 1(2H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-2-(piperidinomethyl)-, hydrochloride, 3,4-Dihydro-6,7-dimethoxy-2-(piperidinomethyl)-1(2H)-naphthalenone hydrochloride, 6,7-dimethoxy-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
| Molecular Formula | C18H26ClNO3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.16013 |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 93901-89-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCC(C2=O)C[NH+]3CCCCC3)OC.[Cl-] |
| InChIKey | PDXJJRFTDPZRKP-UHFFFAOYSA-N |
Product Overview
RefChem:211523 (CAS 93901-89-4), with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol. IUPAC: 6,7-dimethoxy-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride.
Chemical Property Profile of RefChem:211523
Property Insights of RefChem:211523
The XLogP value of -1.48 indicates that RefChem:211523 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:211523 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:211523 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
Frequently Asked Questions
What is the CAS number of RefChem:211523?
The CAS number of RefChem:211523 is 93901-89-4.
What is the molecular formula of RefChem:211523?
The molecular formula of RefChem:211523 is C18H26ClNO3.
What is the molecular weight of RefChem:211523?
The molecular weight of RefChem:211523 is 339.16 g/mol.
Where can I buy RefChem:211523?
You can request a quote for RefChem:211523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:211523?
Yes, KEHONG BIO provides custom synthesis services for RefChem:211523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.