3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester
TL;DR: 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester (CAS 114829-20-8) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester, 5-Hydroxy-2-methyl-3-benzofurancarboxylic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, 2-diethylaminoethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, BRN 5753140
Technical Specifications
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.14706 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.14706 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | CCN(CC)CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C |
| InChIKey | HRLWPIDNRTVOHP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester
Property Insights of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester
The XLogP value of 3.0 indicates that 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester. Following Lipinski's Rule of Five, 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester?
The CAS number of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester is 114829-20-8.
What is the molecular formula of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester?
The molecular formula of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester is C16H21NO4.
What is the molecular weight of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester?
The molecular weight of 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester is 291.14706 g/mol.
Where can I buy 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester?
You can request a quote for 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.