Coumarin 6
TL;DR: Coumarin 6 (CAS 38215-36-0) is a chemical compound with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one
Also Known As: Coumarin 6, Coumarin VI, Coumarin 540, coumarin, Coumarin6
| Molecular Formula | C20H18N2O2S |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1089 |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 38215-36-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
| InChIKey | VBVAVBCYMYWNOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coumarin 6 (CAS 38215-36-0), with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one.
Chemical Property Profile of Coumarin 6
Property Insights of Coumarin 6
The XLogP value of 4.9 indicates that Coumarin 6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin 6. Following Lipinski's Rule of Five, Coumarin 6 has 0 hydrogen bond donor(s) and 5 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 6?
The CAS number of Coumarin 6 is 38215-36-0.
What is the molecular formula of Coumarin 6?
The molecular formula of Coumarin 6 is C20H18N2O2S.
What is the molecular weight of Coumarin 6?
The molecular weight of Coumarin 6 is 350.11 g/mol.
Where can I buy Coumarin 6?
You can request a quote for Coumarin 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin 6?
Yes, KEHONG BIO provides custom synthesis services for Coumarin 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.