Coumarin 500
TL;DR: Coumarin 500 (CAS 52840-38-7) is a chemical compound with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(ethylamino)-4-(trifluoromethyl)chromen-2-one
Also Known As: coumarin 500, coumarin C500, Coumarin Impurity 8, COUMARIN 500F, 7-(ethylamino)-4-(trifluoromethyl)-2H-chromen-2-one
| Molecular Formula | C12H10F3NO2 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.06638 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 52840-38-7 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
| InChIKey | GZTMNDOZYLMFQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin 500 (CAS 52840-38-7), with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol. IUPAC: 7-(ethylamino)-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of Coumarin 500
Property Insights of Coumarin 500
The XLogP value of 3.1 indicates that Coumarin 500 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Coumarin 500 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 500 has 1 hydrogen bond donor(s) and 6 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 Coumarin 500?
The CAS number of Coumarin 500 is 52840-38-7.
What is the molecular formula of Coumarin 500?
The molecular formula of Coumarin 500 is C12H10F3NO2.
What is the molecular weight of Coumarin 500?
The molecular weight of Coumarin 500 is 257.07 g/mol.
Where can I buy Coumarin 500?
You can request a quote for Coumarin 500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 500?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.