6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-
TL;DR: 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- (CAS 82-63-3) is a chemical compound with molecular formula C15H7NO3S and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid
Also Known As: 1,9-Isothiazoleanthrone-2-carboxylic acid, 6-Oxo-6H-anthra(9,1-cd)isothiazole-3-carboxylic acid, 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-, 4-27-00-04342 (Beilstein Handbook Reference), 6-oxo-6h-anthra[9,1-cd][1,2]thiazole-3-carboxylic acid
| Molecular Formula | C15H7NO3S |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.01468 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 82-63-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NSC4=C(C=CC(=C43)C2=O)C(=O)O |
| InChIKey | UWHFOZFCQLDHQL-UHFFFAOYSA-N |
Product Overview
6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- (CAS 82-63-3), with molecular formula C15H7NO3S and molecular weight 281.01 g/mol. IUPAC: 8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid.
Chemical Property Profile of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-
Property Insights of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-
The XLogP value of 3.0 indicates that 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-. Following Lipinski's Rule of Five, 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- has 1 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 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-?
The CAS number of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- is 82-63-3.
What is the molecular formula of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-?
The molecular formula of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- is C15H7NO3S.
What is the molecular weight of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-?
The molecular weight of 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- is 281.01 g/mol.
Where can I buy 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-?
You can request a quote for 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.