RefChem:334445
TL;DR: RefChem:334445 (CAS 63446-06-0) is a chemical compound with molecular formula C19H28ClNO6 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-diethylazanium chloride
Also Known As: Coumarin, 6-(3-diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride, 6-(3-Diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methylcoumarin hydrochloride, [3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-diethylazanium chloride, RefChem:334445
| Molecular Formula | C19H28ClNO6 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.16052 |
| Heavy Atoms | 27 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 63446-06-0 |
|---|---|
| SMILES | CC[NH+](CC)CC(COC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)OC)OC)O.[Cl-] |
| InChIKey | DVKUFTVZNOXZKA-UHFFFAOYSA-N |
Product Overview
RefChem:334445 (CAS 63446-06-0), with molecular formula C19H28ClNO6 and molecular weight 401.16 g/mol. IUPAC: [3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:334445
Property Insights of RefChem:334445
The XLogP value of -2.21 indicates that RefChem:334445 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:334445. Following Lipinski's Rule of Five, RefChem:334445 has 2 hydrogen bond donor(s) and 7 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:334445?
The CAS number of RefChem:334445 is 63446-06-0.
What is the molecular formula of RefChem:334445?
The molecular formula of RefChem:334445 is C19H28ClNO6.
What is the molecular weight of RefChem:334445?
The molecular weight of RefChem:334445 is 401.16 g/mol.
Where can I buy RefChem:334445?
You can request a quote for RefChem:334445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:334445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:334445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.