3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid
TL;DR: 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid (CAS 53324-51-9) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxothiazinan-2-yl)benzoic acid
Also Known As: 3-(1,1-dioxido-1,2-thiazinan-2-yl)benzoic acid, 3-(1,1-dioxothiazinan-2-yl)benzoic acid, BAS 03220563, 3-(1,1-Dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-benzoic acid, 3-(1,1-Dioxo-[1,2]thiazinan-2-yl)-benzoic acid
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 53324-51-9 |
|---|---|
| SMILES | C1CCS(=O)(=O)N(C1)C2=CC=CC(=C2)C(=O)O |
| InChIKey | BDUXZYWBMNHIMV-UHFFFAOYSA-N |
Product Overview
3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid (CAS 53324-51-9), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: 3-(1,1-dioxothiazinan-2-yl)benzoic acid.
Chemical Property Profile of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid
Property Insights of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid 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 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid?
The CAS number of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid is 53324-51-9.
What is the molecular formula of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid?
The molecular formula of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid is C11H13NO4S.
What is the molecular weight of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid?
The molecular weight of 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid is 255.06 g/mol.
Where can I buy 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid?
You can request a quote for 3-(1,1-Dioxido-1,2-thiazinan-2-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 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.