Coumarin 152
TL;DR: Coumarin 152 (CAS 53518-14-2) 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-(dimethylamino)-4-(trifluoromethyl)chromen-2-one
Also Known As: Coumarin 152, Coumarin 152A, 7-(Dimethylamino)-4-(trifluoromethyl)coumarin, COUMARIN 485, 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one
| Molecular Formula | C12H10F3NO2 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.06638 |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 53518-14-2 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
| InChIKey | KDTAEYOYAZPLIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin 152 (CAS 53518-14-2), with molecular formula C12H10F3NO2 and molecular weight 257.07 g/mol. IUPAC: 7-(dimethylamino)-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of Coumarin 152
Property Insights of Coumarin 152
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin 152. With a topological polar surface area (TPSA) of 29.5 Ų, Coumarin 152 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 152 has 0 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 152?
The CAS number of Coumarin 152 is 53518-14-2.
What is the molecular formula of Coumarin 152?
The molecular formula of Coumarin 152 is C12H10F3NO2.
What is the molecular weight of Coumarin 152?
The molecular weight of Coumarin 152 is 257.07 g/mol.
Where can I buy Coumarin 152?
You can request a quote for Coumarin 152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 152?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.