benzyl 4-oxo-4H-chromene-2-carboxylate
TL;DR: benzyl 4-oxo-4H-chromene-2-carboxylate (CAS 108981-97-1) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-oxochromene-2-carboxylate
Also Known As: benzyl 4-oxochromene-2-carboxylate, benzyl 4-oxo-4H-chromene-2-carboxylate, AB01126023-02, AI-204/34841005
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.15 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 834.03796 |
Chemical Identifiers
| CAS Number | 108981-97-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC(=O)C3=CC=CC=C3O2 |
Product Overview
benzyl 4-oxo-4H-chromene-2-carboxylate (CAS 108981-97-1), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: benzyl 4-oxochromene-2-carboxylate.
Chemical Property Profile of benzyl 4-oxo-4H-chromene-2-carboxylate
Property Insights of benzyl 4-oxo-4H-chromene-2-carboxylate
The XLogP value of 3.15 indicates that benzyl 4-oxo-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, benzyl 4-oxo-4H-chromene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 4-oxo-4H-chromene-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 benzyl 4-oxo-4H-chromene-2-carboxylate?
The CAS number of benzyl 4-oxo-4H-chromene-2-carboxylate is 108981-97-1.
What is the molecular formula of benzyl 4-oxo-4H-chromene-2-carboxylate?
The molecular formula of benzyl 4-oxo-4H-chromene-2-carboxylate is C17H12O4.
What is the molecular weight of benzyl 4-oxo-4H-chromene-2-carboxylate?
The molecular weight of benzyl 4-oxo-4H-chromene-2-carboxylate is 280.07 g/mol.
Where can I buy benzyl 4-oxo-4H-chromene-2-carboxylate?
You can request a quote for benzyl 4-oxo-4H-chromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.