RefChem:1061674
TL;DR: RefChem:1061674 (CAS 66041-75-6) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride
Also Known As: 3-Methyl-2-benzofurancarboxylic acid 2-(diethylamino)ethyl ester hydrochloride, 2-Benzofurancarboxylic acid, 3-methyl-, 2-(diethylamino)ethyl ester, hydrochloride, diethyl-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride, 2-(Diethylamino)ethyl 3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1), RefChem:1061674
| Molecular Formula | C16H22ClNO3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | -1.17 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1288 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 66041-75-6 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C2=CC=CC=C2O1)C.[Cl-] |
| InChIKey | MHXHSYZVHGCRQT-UHFFFAOYSA-N |
Product Overview
RefChem:1061674 (CAS 66041-75-6), with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol. IUPAC: diethyl-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:1061674
Property Insights of RefChem:1061674
The XLogP value of -1.17 indicates that RefChem:1061674 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:1061674 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061674 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:1061674?
The CAS number of RefChem:1061674 is 66041-75-6.
What is the molecular formula of RefChem:1061674?
The molecular formula of RefChem:1061674 is C16H22ClNO3.
What is the molecular weight of RefChem:1061674?
The molecular weight of RefChem:1061674 is 311.13 g/mol.
Where can I buy RefChem:1061674?
You can request a quote for RefChem:1061674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061674?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.