Coumarin 106
TL;DR: Coumarin 106 (CAS 41175-45-5) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxa-16-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),5(9),11-tetraen-4-one
Also Known As: Coumarin 106, Coumarin 478, Coumarin106, Coumarin 107, [?]one
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 41175-45-5 |
|---|---|
| SMILES | C1CC2=C(C1)C(=O)OC3=C2C=C4CCCN5C4=C3CCC5 |
| InChIKey | LLSRPENMALNOFW-UHFFFAOYSA-N |
Product Overview
Coumarin 106 (CAS 41175-45-5), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: 3-oxa-16-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),5(9),11-tetraen-4-one.
Chemical Property Profile of Coumarin 106
Property Insights of Coumarin 106
The XLogP value of 3.2 indicates that Coumarin 106 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 106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin 106 has 0 hydrogen bond donor(s) and 3 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 106?
The CAS number of Coumarin 106 is 41175-45-5.
What is the molecular formula of Coumarin 106?
The molecular formula of Coumarin 106 is C18H19NO2.
What is the molecular weight of Coumarin 106?
The molecular weight of Coumarin 106 is 281.14 g/mol.
Where can I buy Coumarin 106?
You can request a quote for Coumarin 106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 106?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.