Coumarin 153
TL;DR: Coumarin 153 (CAS 53518-18-6) is a chemical compound with molecular formula C16H14F3NO2 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Also Known As: Coumarin 153, Coumarin153, Coumarin 540a, Pilot 495, Coumarin 6f
| Molecular Formula | C16H14F3NO2 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.09766 |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 53518-18-6 |
|---|---|
| SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(F)(F)F |
| InChIKey | VSSSHNJONFTXHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin 153 (CAS 53518-18-6), with molecular formula C16H14F3NO2 and molecular weight 309.10 g/mol. IUPAC: 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.
Chemical Property Profile of Coumarin 153
Property Insights of Coumarin 153
The XLogP value of 3.2 indicates that Coumarin 153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Coumarin 153 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 153 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 153?
The CAS number of Coumarin 153 is 53518-18-6.
What is the molecular formula of Coumarin 153?
The molecular formula of Coumarin 153 is C16H14F3NO2.
What is the molecular weight of Coumarin 153?
The molecular weight of Coumarin 153 is 309.10 g/mol.
Where can I buy Coumarin 153?
You can request a quote for Coumarin 153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 153?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.