4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester
TL;DR: 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester (CAS 114259-17-5) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate
Also Known As: BAS 05896221, ethyl 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate, 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester, ethyl 4-((3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate, ethyl 4-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 114259-17-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)O2 |
| InChIKey | ZWBSGCFRJFPNFK-UHFFFAOYSA-N |
Product Overview
4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester (CAS 114259-17-5), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: ethyl 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate.
Chemical Property Profile of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester
Property Insights of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester
The XLogP value of 3.0 indicates that 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester. Following Lipinski's Rule of Five, 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic 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-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester?
The CAS number of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester is 114259-17-5.
What is the molecular formula of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester?
The molecular formula of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester is C17H15NO4.
What is the molecular weight of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester?
The molecular weight of 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester is 297.10 g/mol.
Where can I buy 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester?
You can request a quote for 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic 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-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.