methyl 4-(2-oxo-2H-chromene-3-amido)benzoate
TL;DR: methyl 4-(2-oxo-2H-chromene-3-amido)benzoate (CAS 302558-76-5) 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-[(2-oxochromene-3-carbonyl)amino]benzoate
Also Known As: methyl 4-(2-oxo-2H-chromene-3-amido)benzoate, methyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate, BAS 00558067, Methyl 4-(2-oxo-2h-chromene-3-carboxamido)benzoate, AE-641/10071027
| Molecular Formula | C18H13NO5 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.07938 |
| Heavy Atoms | 24 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 302558-76-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | QHSGHJVWAPOTSV-UHFFFAOYSA-N |
Product Overview
methyl 4-(2-oxo-2H-chromene-3-amido)benzoate (CAS 302558-76-5), with molecular formula C18H13NO5 and molecular weight 323.08 g/mol. IUPAC: methyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate
Property Insights of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-oxo-2H-chromene-3-amido)benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-oxo-2H-chromene-3-amido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-oxo-2H-chromene-3-amido)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-(2-oxo-2H-chromene-3-amido)benzoate?
The CAS number of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate is 302558-76-5.
What is the molecular formula of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate?
The molecular formula of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate is C18H13NO5.
What is the molecular weight of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate?
The molecular weight of methyl 4-(2-oxo-2H-chromene-3-amido)benzoate is 323.08 g/mol.
Where can I buy methyl 4-(2-oxo-2H-chromene-3-amido)benzoate?
You can request a quote for methyl 4-(2-oxo-2H-chromene-3-amido)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-(2-oxo-2H-chromene-3-amido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-oxo-2H-chromene-3-amido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.