Coumarin 521
TL;DR: Coumarin 521 (CAS 55804-67-6) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Also Known As: Coumarin 334, Coumarin334, Coumarin 521, acetyl[?]one, coumarin C334
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 55804-67-6 |
|---|---|
| SMILES | CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3 |
| InChIKey | JBPCDMSEJVCNGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin 521 (CAS 55804-67-6), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: 5-acetyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one.
Chemical Property Profile of Coumarin 521
Property Insights of Coumarin 521
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin 521. With a topological polar surface area (TPSA) of 46.6 Ų, Coumarin 521 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 521 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 Coumarin 521?
The CAS number of Coumarin 521 is 55804-67-6.
What is the molecular formula of Coumarin 521?
The molecular formula of Coumarin 521 is C17H17NO3.
What is the molecular weight of Coumarin 521?
The molecular weight of Coumarin 521 is 283.12 g/mol.
Where can I buy Coumarin 521?
You can request a quote for Coumarin 521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 521?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.