RefChem:1055939
TL;DR: RefChem:1055939 (CAS 6680-33-7) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carboxy-3-naphthalen-1-ylbutyl)-dimethylazanium chloride
Also Known As: 1-Naphthaleneacetic acid, alpha-(2-(dimethylamino)ethyl)-alpha-methyl-, hydrochloride, alpha-(2-(Dimethylamino)ethyl)-alpha-methyl-1-naphthaleneacetic acid hydrochloride, (4-Hydroxy-3-methyl-3-naphthalen-1-yl-4-oxobutyl)-dimethylazaniumchloride, (4-hydroxy-3-methyl-3-naphthalen-1-yl-4-oxobutyl)-dimethylazanium chloride, RefChem:1055939
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 6680-33-7 |
|---|---|
| SMILES | CC(CC[NH+](C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O.[Cl-] |
| InChIKey | ILRMDPPAPVTHAR-UHFFFAOYSA-N |
Product Overview
RefChem:1055939 (CAS 6680-33-7), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: (3-carboxy-3-naphthalen-1-ylbutyl)-dimethylazanium chloride.
Chemical Property Profile of RefChem:1055939
Property Insights of RefChem:1055939
The XLogP value of -1.28 indicates that RefChem:1055939 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:1055939 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055939 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 RefChem:1055939?
The CAS number of RefChem:1055939 is 6680-33-7.
What is the molecular formula of RefChem:1055939?
The molecular formula of RefChem:1055939 is C17H22ClNO2.
What is the molecular weight of RefChem:1055939?
The molecular weight of RefChem:1055939 is 307.13 g/mol.
Where can I buy RefChem:1055939?
You can request a quote for RefChem:1055939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.