7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin
TL;DR: 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin (CAS 107745-32-4) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one
Also Known As: 7-Deaicp-methylcoumarin, 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin, 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one, J1.714.492H, 2,2,2-TRIFLUORO-1-[4-(METHOXYMETHYL)PHENYL]ETHANONE
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 107745-32-4 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N=C=S)C |
| InChIKey | YALJZNKPECPZAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin (CAS 107745-32-4), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one.
Chemical Property Profile of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin
Property Insights of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin
The XLogP value of 5.7 indicates that 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin. Following Lipinski's Rule of Five, 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin?
The CAS number of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin is 107745-32-4.
What is the molecular formula of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin?
The molecular formula of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin is C21H20N2O2S.
What is the molecular weight of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin?
The molecular weight of 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin is 364.12 g/mol.
Where can I buy 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin?
You can request a quote for 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Diethylamino-3-(4'-isothiocyanatophenyl)-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.