![Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate structure](/static/products/890/890646-66-9.png)
Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate
TL;DR: Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate (CAS 890646-66-9) is a chemical compound with molecular formula C18H13NO5 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate
Also Known As: methyl 4-(1-oxo-1H-isochromene-3-amido)benzoate, VU0607091-1, methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate, methyl 4-[(1-oxoisochromen-3-yl)carbonylamino]benzoate, F3244-0074
| Molecular Formula | C18H13NO5 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.8319 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.07938 |
| Heavy Atoms | 24 |
| Complexity | 972.6157 |
Chemical Identifiers
| CAS Number | 890646-66-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2 |
Product Overview
Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate (CAS 890646-66-9), with molecular formula C18H13NO5 and molecular weight 323.08 g/mol. IUPAC: methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate
Property Insights of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate
The XLogP value of 2.8319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate 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 Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate?
The CAS number of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate is 890646-66-9.
What is the molecular formula of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate?
The molecular formula of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate is C18H13NO5.
What is the molecular weight of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate?
The molecular weight of Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate is 323.08 g/mol.
Where can I buy Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate?
You can request a quote for Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(1-oxoisochromene-3-carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.