2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide
TL;DR: 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide (CAS 68427-35-0) is a chemical compound with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamide
Also Known As: Albert Yellow, Fluorescent yellow aa223, SOLVENT YELLOW 172, 3-(5-(Aminosulfonyl)benzoxazol-2-yl)-7-(diethylamino)coumarin, 2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamide
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 68427-35-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N |
| InChIKey | SDUIURJVOCHJCO-UHFFFAOYSA-N |
Product Overview
2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide (CAS 68427-35-0), with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol. IUPAC: 2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamide.
Chemical Property Profile of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide
Property Insights of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide. Following Lipinski's Rule of Five, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide has 1 hydrogen bond donor(s) and 8 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 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide?
The CAS number of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide is 68427-35-0.
What is the molecular formula of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide?
The molecular formula of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide is C20H19N3O5S.
What is the molecular weight of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide?
The molecular weight of 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide is 413.10 g/mol.
Where can I buy 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide?
You can request a quote for 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazole-5-sulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.