4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
TL;DR: 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid (CAS 21786-97-0) is a chemical compound with molecular formula C11H6N2O3S and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid
Also Known As: Maybridge1_005843, CARVACROLMETHYLETHER, 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid, 7416AD, BAS 05150436
| Molecular Formula | C11H6N2O3S |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 1.6074 |
| Topological Polar Surface Area | 71.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.00992 |
| Heavy Atoms | 17 |
| Complexity | 803.1831 |
Chemical Identifiers
| CAS Number | 21786-97-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C(=O)O |
Product Overview
4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid (CAS 21786-97-0), with molecular formula C11H6N2O3S and molecular weight 246.01 g/mol. IUPAC: 4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid.
Chemical Property Profile of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
Property Insights of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid
The XLogP value of 1.6074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid. The TPSA of 71.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid?
The CAS number of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid is 21786-97-0.
What is the molecular formula of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid?
The molecular formula of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid is C11H6N2O3S.
What is the molecular weight of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid?
The molecular weight of 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid is 246.01 g/mol.
Where can I buy 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid?
You can request a quote for 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4H-9-thia-1,4a-diaza-fluorene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.