![3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid structure](/static/products/4826/4826-22-6.webp)
3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid
TL;DR: 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid (CAS 4826-22-6) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanoic acid
Also Known As: starbld0010477, 3-(1,1-dioxo-4H-1, 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid, 3-(1,1-DIOXIDO-4H-BENZO[E][1,2,4]THIADIAZIN-3-YL)PROPANOIC ACID, 4H-1,2,4-Benzothiadiazine-3-propanoic acid 1,1-dioxide
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 1.0641 |
| Topological Polar Surface Area | 95.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 592.07837 |
Chemical Identifiers
| CAS Number | 4826-22-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=NS2(=O)=O)CCC(=O)O |
Product Overview
3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid (CAS 4826-22-6), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanoic acid.
Chemical Property Profile of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid
Property Insights of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid
The XLogP value of 1.0641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid. The TPSA of 95.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid has 2 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 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid?
The CAS number of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid is 4826-22-6.
What is the molecular formula of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid?
The molecular formula of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid is C10H10N2O4S.
What is the molecular weight of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid?
The molecular weight of 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid is 254.04 g/mol.
Where can I buy 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid?
You can request a quote for 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic 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-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.