RefChem:1061686
TL;DR: RefChem:1061686 (CAS 63446-01-5) 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.
diethyl-[2-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride
Also Known As: (2-Diethylamino)ethyl 3-methyl-5,6,7-trimethoxy-2-benzofurancarboxylate hydrochloride, diethyl-[2-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride, 2-Benzofurancarboxylic acid, 3-methyl-5,6,7-trimethoxy-, (2-diethylamino)ethyl ester, hydrochloride, 2-BENZOFURANCARBOXYLIC ACID, 3-METHYL-5,6,7-TRIMETHOXY-, (2-DIETHYLAMINO)ETHYL E, 2-(Diethylamino)ethyl 5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C19H28ClNO6 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.16052 |
| Heavy Atoms | 27 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 63446-01-5 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C2=CC(=C(C(=C2O1)OC)OC)OC)C.[Cl-] |
| InChIKey | FNCRUYQMZCCBRB-UHFFFAOYSA-N |
Product Overview
RefChem:1061686 (CAS 63446-01-5), with molecular formula C19H28ClNO6 and molecular weight 401.16 g/mol. IUPAC: diethyl-[2-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1061686
Property Insights of RefChem:1061686
The XLogP value of -1.15 indicates that RefChem:1061686 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061686. Following Lipinski's Rule of Five, RefChem:1061686 has 1 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:1061686?
The CAS number of RefChem:1061686 is 63446-01-5.
What is the molecular formula of RefChem:1061686?
The molecular formula of RefChem:1061686 is C19H28ClNO6.
What is the molecular weight of RefChem:1061686?
The molecular weight of RefChem:1061686 is 401.16 g/mol.
Where can I buy RefChem:1061686?
You can request a quote for RefChem:1061686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.