4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester
TL;DR: 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester (CAS 279231-57-1) is a chemical compound with molecular formula C19H27NO4 and molecular weight 333.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate
Also Known As: J1.547.024K, 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester, ethyl 4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate, Ethyl 4-{3-[(tert-butyl)amino]propoxy}-3-methylbenzo[d]furan-2-carboxylate, ethyl 4-(3-(tert-butylamino)propoxy)-3-methylbenzofuran-2-carboxylate
| Molecular Formula | C19H27NO4 |
|---|---|
| Molecular Weight | 333.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.194 |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 279231-57-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCNC(C)(C)C)C |
| InChIKey | RIYRHNUSSZPXRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester (CAS 279231-57-1), with molecular formula C19H27NO4 and molecular weight 333.19 g/mol. IUPAC: ethyl 4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester
Property Insights of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester
The XLogP value of 4.1 indicates that 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester?
The CAS number of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester is 279231-57-1.
What is the molecular formula of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester?
The molecular formula of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester is C19H27NO4.
What is the molecular weight of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester?
The molecular weight of 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester is 333.19 g/mol.
Where can I buy 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester?
You can request a quote for 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.