4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid
TL;DR: 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid (CAS 344264-94-4) is a chemical compound with molecular formula C11H9NO5S and molecular weight 267.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic acid
Also Known As: 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid, 4-(1,3,5-trioxo-1lambda~4~,4-thiazinan-4-yl)benzenecarboxylic acid, 4-(1,3,5-Trioxo-1lambda4,4-thiazinan-4-yl)benzenecarboxylic acid, 4-(1,3,5-trioxo-1lambda4-thiomorpholin-4-yl)benzoic acid, 4-(1-Oxido-3,5-dioxothiomorpholino)benzoic acid
| Molecular Formula | C11H9NO5S |
|---|---|
| Molecular Weight | 267.02 g/mol |
| LogP | 0.0067 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.02014 |
| Heavy Atoms | 18 |
| Complexity | 531.05695 |
Chemical Identifiers
| CAS Number | 344264-94-4 |
|---|---|
| SMILES | C1C(=O)N(C(=O)CS1=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid (CAS 344264-94-4), with molecular formula C11H9NO5S and molecular weight 267.02 g/mol. IUPAC: 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic acid.
Chemical Property Profile of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid
Property Insights of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid
The XLogP value of 0.0067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic 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-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid?
The CAS number of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid is 344264-94-4.
What is the molecular formula of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid?
The molecular formula of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid is C11H9NO5S.
What is the molecular weight of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid?
The molecular weight of 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid is 267.02 g/mol.
Where can I buy 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid?
You can request a quote for 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3,5-trioxo-1,4-thiazinan-4-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.