4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide
TL;DR: 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide (CAS 4803-21-8) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-1H-2λ6,1,3-benzothiadiazine 2,2-dioxide
Also Known As: 4-phenyl-1H-2, 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide, AQ-405/42300534, 4-phenyl-1H-2lambda6,1,3-benzothiadiazine 2,2-dioxide
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.1943 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 721.66626 |
Chemical Identifiers
| CAS Number | 4803-21-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NS(=O)(=O)NC3=CC=CC=C32 |
Product Overview
4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide (CAS 4803-21-8), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 4-phenyl-1H-2λ6,1,3-benzothiadiazine 2,2-dioxide.
Chemical Property Profile of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide
Property Insights of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide
The XLogP value of 2.1943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide. With a topological polar surface area (TPSA) of 58.53 Ų, 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide has 1 hydrogen bond donor(s) and 2 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-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide?
The CAS number of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide is 4803-21-8.
What is the molecular formula of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide?
The molecular formula of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide is C13H10N2O2S.
What is the molecular weight of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide?
The molecular weight of 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide is 258.05 g/mol.
Where can I buy 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide?
You can request a quote for 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.