8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester
TL;DR: 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester (CAS 301332-73-0) is a chemical compound with molecular formula C21H16O5 and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-oxo-8-prop-2-enylchromene-3-carboxylate
Also Known As: MixCom6_001242, phenacyl 8-allyl-3-coumarincarboxylate, BAS 00518627, BIM-0024117.P001, phenacyl 2-oxo-8-prop-2-enylchromene-3-carboxylate
| Molecular Formula | C21H16O5 |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 3.5612 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.09976 |
| Heavy Atoms | 26 |
| Complexity | 1031.2008 |
Chemical Identifiers
| CAS Number | 301332-73-0 |
|---|---|
| SMILES | C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC(=O)C3=CC=CC=C3 |
Product Overview
8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester (CAS 301332-73-0), with molecular formula C21H16O5 and molecular weight 348.10 g/mol. IUPAC: phenacyl 2-oxo-8-prop-2-enylchromene-3-carboxylate.
Chemical Property Profile of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester
Property Insights of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester
The XLogP value of 3.5612 indicates that 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester. Following Lipinski's Rule of Five, 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester has 0 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 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester?
The CAS number of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester is 301332-73-0.
What is the molecular formula of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester?
The molecular formula of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester is C21H16O5.
What is the molecular weight of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester?
The molecular weight of 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester is 348.10 g/mol.
Where can I buy 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester?
You can request a quote for 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.