2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1
TL;DR: 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 (CAS 899994-34-4) is a chemical compound with molecular formula C14H11ClN2O3S and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
Also Known As: 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1, 2-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione, F3165-1045, 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
| Molecular Formula | C14H11ClN2O3S |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 3.38922 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.01788 |
| Heavy Atoms | 21 |
| Complexity | 849.04767 |
Chemical Identifiers
| CAS Number | 899994-34-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=O)NC3=CC=CC=C3S2(=O)=O |
Product Overview
2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 (CAS 899994-34-4), with molecular formula C14H11ClN2O3S and molecular weight 322.02 g/mol. IUPAC: 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
Chemical Property Profile of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1
Property Insights of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1
The XLogP value of 3.38922 indicates that 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1. Following Lipinski's Rule of Five, 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 has 1 hydrogen bond donor(s) and 3 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 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1?
The CAS number of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 is 899994-34-4.
What is the molecular formula of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1?
The molecular formula of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 is C14H11ClN2O3S.
What is the molecular weight of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1?
The molecular weight of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 is 322.02 g/mol.
Where can I buy 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1?
You can request a quote for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-4H-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.