dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate
TL;DR: dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate (CAS 899407-52-4) is a chemical compound with molecular formula C20H19NO8 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate, dimethyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate, dimethyl 5-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate
| Molecular Formula | C20H19NO8 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 2.5581 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.11105 |
| Heavy Atoms | 29 |
| Complexity | 950.43677 |
Chemical Identifiers
| CAS Number | 899407-52-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)OC |
Product Overview
dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate (CAS 899407-52-4), with molecular formula C20H19NO8 and molecular weight 401.11 g/mol. IUPAC: dimethyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate
Property Insights of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate
The XLogP value of 2.5581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate has 1 hydrogen bond donor(s) and 9 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-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate?
The CAS number of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate is 899407-52-4.
What is the molecular formula of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate?
The molecular formula of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate is C20H19NO8.
What is the molecular weight of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate?
The molecular weight of dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate is 401.11 g/mol.
Where can I buy dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate?
You can request a quote for dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.