Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-
TL;DR: Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- (CAS 114173-34-1) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(diethylamino)-4-methyl-2-oxochromen-3-yl] thiocyanate
Also Known As: Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-, [7-(diethylamino)-4-methyl-2-oxochromen-3-yl] thiocyanate, 7-DIETHYLAMINO-4-METHYL-3-THIOCYANATO-CHROMEN-2-ONE, 3-thiocyanato-4-methyl-7-diethylaminocoumarin, 3-hexadecoxy-8-methyl-8-azabicyclo[3.2.1]octane
| Molecular Formula | C15H16N2O2S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.09326 |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 114173-34-1 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)SC#N)C |
| InChIKey | KGDNJUMHXJGLRF-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- (CAS 114173-34-1), with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol. IUPAC: [7-(diethylamino)-4-methyl-2-oxochromen-3-yl] thiocyanate.
Chemical Property Profile of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-
Property Insights of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-
The XLogP value of 3.5 indicates that Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-. Following Lipinski's Rule of Five, Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- 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, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-?
The CAS number of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- is 114173-34-1.
What is the molecular formula of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-?
The molecular formula of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- is C15H16N2O2S.
What is the molecular weight of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-?
The molecular weight of Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- is 288.09 g/mol.
Where can I buy Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-?
You can request a quote for Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-thiocyano-4-methyl-7-(N,N-diethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.