Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate
TL;DR: Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate (CAS 353473-84-4) is a chemical compound with molecular formula C20H15NO7 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(1-oxoisochromene-3-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate, dimethyl 5-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}isophthalate, dimethyl 5-[(1-oxoisochromene-3-carbonyl)amino]benzene-1,3-dicarboxylate, 1,3-dimethyl 5-(1-oxo-1H-isochromene-3-amido)benzene-1,3-dicarboxylate
| Molecular Formula | C20H15NO7 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 2.6185 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.08484 |
| Heavy Atoms | 28 |
| Complexity | 1112.4945 |
Chemical Identifiers
| CAS Number | 353473-84-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C(=O)OC |
Product Overview
Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate (CAS 353473-84-4), with molecular formula C20H15NO7 and molecular weight 381.08 g/mol. IUPAC: dimethyl 5-[(1-oxoisochromene-3-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate
Property Insights of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate
The XLogP value of 2.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate 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-(1-oxo-1H-isochromene-3-carboxamido)isophthalate?
The CAS number of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate is 353473-84-4.
What is the molecular formula of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate?
The molecular formula of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate is C20H15NO7.
What is the molecular weight of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate?
The molecular weight of Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate is 381.08 g/mol.
Where can I buy Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate?
You can request a quote for Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)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-(1-oxo-1H-isochromene-3-carboxamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(1-oxo-1H-isochromene-3-carboxamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.