![Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate structure](/static/products/684/684238-69-5.png)
Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate (CAS 684238-69-5) is a chemical compound with molecular formula C18H15NO6 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate
Also Known As: BAS 05896223, dimethyl 5-((3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate, dimethyl 5-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate, methyl 5-(methoxycarbonyl)-3-[(3-oxohydroisobenzofuranyl)amino]benzoate, 5-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)-isophthalic acid dimethyl ester
| Molecular Formula | C18H15NO6 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 2.5409 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.08994 |
| Heavy Atoms | 25 |
| Complexity | 826.14484 |
Chemical Identifiers
| CAS Number | 684238-69-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC2C3=CC=CC=C3C(=O)O2)C(=O)OC |
Product Overview
Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate (CAS 684238-69-5), with molecular formula C18H15NO6 and molecular weight 341.09 g/mol. IUPAC: dimethyl 5-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate
The XLogP value of 2.5409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate is 684238-69-5.
What is the molecular formula of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate is C18H15NO6.
What is the molecular weight of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate is 341.09 g/mol.
Where can I buy Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.