1-Thiocoumarin, 4-morpholino-3-nitro-
TL;DR: 1-Thiocoumarin, 4-morpholino-3-nitro- (CAS 66285-06-1) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-yl-3-nitrothiochromen-2-one
Also Known As: 4-Morpholino-3-nitro-1-thiocoumarin, 1-Thiocoumarin, 4-morpholino-3-nitro-, 4-morpholin-4-yl-3-nitrothiochromen-2-one, 4-(4-morpholinyl)-3-nitro-2H-thiochromen-2-one, 4-morpholin-4-yl-3-nitro-thiochromen-2-one
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.0063 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 721.8732 |
Chemical Identifiers
| CAS Number | 66285-06-1 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
1-Thiocoumarin, 4-morpholino-3-nitro- (CAS 66285-06-1), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: 4-morpholin-4-yl-3-nitrothiochromen-2-one.
Chemical Property Profile of 1-Thiocoumarin, 4-morpholino-3-nitro-
Property Insights of 1-Thiocoumarin, 4-morpholino-3-nitro-
The XLogP value of 2.0063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thiocoumarin, 4-morpholino-3-nitro-. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Thiocoumarin, 4-morpholino-3-nitro-. Following Lipinski's Rule of Five, 1-Thiocoumarin, 4-morpholino-3-nitro- has 0 hydrogen bond donor(s) and 6 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 1-Thiocoumarin, 4-morpholino-3-nitro-?
The CAS number of 1-Thiocoumarin, 4-morpholino-3-nitro- is 66285-06-1.
What is the molecular formula of 1-Thiocoumarin, 4-morpholino-3-nitro-?
The molecular formula of 1-Thiocoumarin, 4-morpholino-3-nitro- is C13H12N2O4S.
What is the molecular weight of 1-Thiocoumarin, 4-morpholino-3-nitro-?
The molecular weight of 1-Thiocoumarin, 4-morpholino-3-nitro- is 292.05 g/mol.
Where can I buy 1-Thiocoumarin, 4-morpholino-3-nitro-?
You can request a quote for 1-Thiocoumarin, 4-morpholino-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thiocoumarin, 4-morpholino-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Thiocoumarin, 4-morpholino-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.