4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester
TL;DR: 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester (CAS 41019-65-2) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-nitrophenyl)-1-benzofuran-4-carboxylate
Also Known As: 2-4-benzofurancarboxylicacidmethylester, 2- -4-benzofurancarboxylicacidmethylester, Methyl 2-(4-nitrophenyl)-1-benzofuran-4-carboxylate, 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester, Methyl 2-(4-nitrophenyl)-1-benzofuran-4-carboxylate #
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 41019-65-2 |
|---|---|
| SMILES | COC(=O)C1=C2C=C(OC2=CC=C1)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FJPCXIVBXBSQJZ-UHFFFAOYSA-N |
Product Overview
4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester (CAS 41019-65-2), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: methyl 2-(4-nitrophenyl)-1-benzofuran-4-carboxylate.
Chemical Property Profile of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester
Property Insights of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester
The XLogP value of 3.7 indicates that 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester. Following Lipinski's Rule of Five, 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester has 0 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-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester?
The CAS number of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester is 41019-65-2.
What is the molecular formula of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester?
The molecular formula of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester is C16H11NO5.
What is the molecular weight of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester?
The molecular weight of 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester is 297.06 g/mol.
Where can I buy 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester?
You can request a quote for 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzofurancarboxylic acid, 2-(4-nitrophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.