7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
TL;DR: 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one (CAS 77820-11-2) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)-3-(thiophene-2-carbonyl)chromen-2-one
Also Known As: BioA-IN-1, 7-DIETHYLAMINO-3-THENOYLCOUMARIN, 7-Diethylamino-3-theonylcoumarin, 7-diethylamino-3-thenoyl-coumarin, 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 77820-11-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CS3 |
| InChIKey | HSYRYXPRQYPBBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one (CAS 77820-11-2), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: 7-(diethylamino)-3-(thiophene-2-carbonyl)chromen-2-one.
Chemical Property Profile of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
Property Insights of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
The XLogP value of 4.3 indicates that 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one 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 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one?
The CAS number of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one is 77820-11-2.
What is the molecular formula of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one?
The molecular formula of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one is C18H17NO3S.
What is the molecular weight of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one?
The molecular weight of 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one is 327.09 g/mol.
Where can I buy 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one?
You can request a quote for 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one 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-(thiophene-2-carbonyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.