2-oxo-2H-chromen-7-yl benzoate
TL;DR: 2-oxo-2H-chromen-7-yl benzoate (CAS 31005-05-7) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) benzoate
Also Known As: 7-benzoyloxy-coumarin, 2-oxo-2H-chromen-7-yl benzoate, ChemDiv3_001862, (2-oxochromen-7-yl) benzoate, 2-oxochromen-7-yl benzoate
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 31005-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 |
| InChIKey | DKDPSSSGXHEHAK-UHFFFAOYSA-N |
Product Overview
2-oxo-2H-chromen-7-yl benzoate (CAS 31005-05-7), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: (2-oxochromen-7-yl) benzoate.
Chemical Property Profile of 2-oxo-2H-chromen-7-yl benzoate
Property Insights of 2-oxo-2H-chromen-7-yl benzoate
The XLogP value of 3.3 indicates that 2-oxo-2H-chromen-7-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-oxo-2H-chromen-7-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-7-yl benzoate 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 2-oxo-2H-chromen-7-yl benzoate?
The CAS number of 2-oxo-2H-chromen-7-yl benzoate is 31005-05-7.
What is the molecular formula of 2-oxo-2H-chromen-7-yl benzoate?
The molecular formula of 2-oxo-2H-chromen-7-yl benzoate is C16H10O4.
What is the molecular weight of 2-oxo-2H-chromen-7-yl benzoate?
The molecular weight of 2-oxo-2H-chromen-7-yl benzoate is 266.06 g/mol.
Where can I buy 2-oxo-2H-chromen-7-yl benzoate?
You can request a quote for 2-oxo-2H-chromen-7-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromen-7-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-7-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.