RefChem:232206
TL;DR: RefChem:232206 (CAS 6394-76-9) is a chemical compound with molecular formula C22H34Cl2N2O2 and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-ylheptyl]-dimethylazanium dichloride
Also Known As: 1-Naphthaleneacetic acid, alpha,alpha-bis(3-(dimethylamino)propyl)-, dihydrochloride, alpha,alpha-Bis(3-(dimethylamino)propyl)-1-naphthaleneacetic acid dihydrochloride, [4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-ylheptyl]-dimethylazanium dichloride, 1-Naphthaleneacetic acid, .alpha.,.alpha.-bis[3-(dimethylamino)propyl]-, dihydrochloride, RefChem:232206
| Molecular Formula | C22H34Cl2N2O2 |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | -4.98 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.19974 |
| Heavy Atoms | 28 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 6394-76-9 |
|---|---|
| SMILES | C[NH+](C)CCCC(CCC[NH+](C)C)(C1=CC=CC2=CC=CC=C21)C(=O)O.[Cl-].[Cl-] |
| InChIKey | BKZBRBRFMRWGNZ-UHFFFAOYSA-N |
Product Overview
RefChem:232206 (CAS 6394-76-9), with molecular formula C22H34Cl2N2O2 and molecular weight 428.20 g/mol. IUPAC: [4-carboxy-7-(dimethylazaniumyl)-4-naphthalen-1-ylheptyl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:232206
Property Insights of RefChem:232206
The XLogP value of -4.98 indicates that RefChem:232206 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, RefChem:232206 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232206 has 3 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:232206?
The CAS number of RefChem:232206 is 6394-76-9.
What is the molecular formula of RefChem:232206?
The molecular formula of RefChem:232206 is C22H34Cl2N2O2.
What is the molecular weight of RefChem:232206?
The molecular weight of RefChem:232206 is 428.20 g/mol.
Where can I buy RefChem:232206?
You can request a quote for RefChem:232206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:232206?
Yes, KEHONG BIO provides custom synthesis services for RefChem:232206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.