![methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate structure](/static/products/355/355000-81-6.png)
methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
TL;DR: methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate (CAS 355000-81-6) 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 2-[(1-oxoisochromene-3-carbonyl)amino]benzoate
Also Known As: methyl 2-[(1-oxoisochromene-3-carbonyl)amino]benzoate, methyl 2-(1-oxo-1H-isochromene-3-carboxamido)benzoate, methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
| 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 | 989.8657 |
Chemical Identifiers
| CAS Number | 355000-81-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=O)O2 |
Product Overview
methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate (CAS 355000-81-6), with molecular formula C18H13NO5 and molecular weight 323.08 g/mol. IUPAC: methyl 2-[(1-oxoisochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
Property Insights of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
The XLogP value of 2.8319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-{[(1-oxo-1H-isochromen-3-yl)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 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
The CAS number of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is 355000-81-6.
What is the molecular formula of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is C18H13NO5.
What is the molecular weight of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is 323.08 g/mol.
Where can I buy methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 2-{[(1-oxo-1H-isochromen-3-yl)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 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.