Coumarin 525
TL;DR: Coumarin 525 (CAS 87331-47-3) is a chemical compound with molecular formula C22H19N3O2 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-benzimidazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Also Known As: Coumarin 525, J2.314.539A, 10-(1H-benzo[d]imidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one, 10-(1H-Benzimidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one, 10-(1H-benzimidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
| Molecular Formula | C22H19N3O2 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 4.0351 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.14774 |
| Heavy Atoms | 27 |
| Complexity | 1233.0142 |
Chemical Identifiers
| CAS Number | 87331-47-3 |
|---|---|
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6N5)CCCN3C1 |
Product Overview
Coumarin 525 (CAS 87331-47-3), with molecular formula C22H19N3O2 and molecular weight 357.15 g/mol. IUPAC: 5-(1H-benzimidazol-2-yl)-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 525
Property Insights of Coumarin 525
The XLogP value of 4.0351 indicates that Coumarin 525 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin 525. Following Lipinski's Rule of Five, Coumarin 525 has 1 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 525?
The CAS number of Coumarin 525 is 87331-47-3.
What is the molecular formula of Coumarin 525?
The molecular formula of Coumarin 525 is C22H19N3O2.
What is the molecular weight of Coumarin 525?
The molecular weight of Coumarin 525 is 357.15 g/mol.
Where can I buy Coumarin 525?
You can request a quote for Coumarin 525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 525?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.