Coumarin 337
TL;DR: Coumarin 337 (CAS 55804-68-7) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
Also Known As: Coumarin 337, Coumarin 523, Coumarin337, oxo[?]carbonitrile, coumarin C334
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 55804-68-7 |
|---|---|
| SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1 |
| InChIKey | LGDDFMCJIHJNMK-UHFFFAOYSA-N |
Product Overview
Coumarin 337 (CAS 55804-68-7), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile.
Chemical Property Profile of Coumarin 337
Property Insights of Coumarin 337
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin 337. With a topological polar surface area (TPSA) of 53.3 Ų, Coumarin 337 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 337 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 337?
The CAS number of Coumarin 337 is 55804-68-7.
What is the molecular formula of Coumarin 337?
The molecular formula of Coumarin 337 is C16H14N2O2.
What is the molecular weight of Coumarin 337?
The molecular weight of Coumarin 337 is 266.11 g/mol.
Where can I buy Coumarin 337?
You can request a quote for Coumarin 337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 337?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.