isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate
TL;DR: isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate (CAS 616214-79-0) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate
Also Known As: isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate, 2-methylpropyl 4-(2-oxo-2H-chromene-3-amido)benzoate, 2-methylpropyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate, AF-399/41726110, F1716-0227
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.8581 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 1034.3713 |
Chemical Identifiers
| CAS Number | 616214-79-0 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate (CAS 616214-79-0), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: 2-methylpropyl 4-[(2-oxochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate
Property Insights of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate
The XLogP value of 3.8581 indicates that isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate. Following Lipinski's Rule of Five, isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)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 isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate?
The CAS number of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate is 616214-79-0.
What is the molecular formula of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate?
The molecular formula of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate is C21H19NO5.
What is the molecular weight of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate?
The molecular weight of isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate is 365.13 g/mol.
Where can I buy isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate?
You can request a quote for isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 4-(2-oxo-2H-chromene-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.