methyl 3-(4-methylanilino)-1,1-dioxo-1
TL;DR: methyl 3-(4-methylanilino)-1,1-dioxo-1 (CAS 730242-84-9) is a chemical compound with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylanilino)-1,1-dioxo-1λ6,4,2-benzodithiazine-7-carboxylate
Also Known As: methyl 3-(4-methylanilino)-1,1-dioxo-1, 1,4,2-Benzodithiazine-7-carboxylic acid, 3-[(4-methylphenyl)amino]-, methyl ester, 1,1-dioxide, Methyl 3-(4-methylanilino)-1,1-dioxo-1H-1lambda~6~,4,2-benzodithiazine-7-carboxylate
| Molecular Formula | C16H14N2O4S2 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 3.04412 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0395 |
| Heavy Atoms | 24 |
| Complexity | 935.0498 |
Chemical Identifiers
| CAS Number | 730242-84-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C(S2)C=CC(=C3)C(=O)OC |
Product Overview
methyl 3-(4-methylanilino)-1,1-dioxo-1 (CAS 730242-84-9), with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol. IUPAC: methyl 3-(4-methylanilino)-1,1-dioxo-1λ6,4,2-benzodithiazine-7-carboxylate.
Chemical Property Profile of methyl 3-(4-methylanilino)-1,1-dioxo-1
Property Insights of methyl 3-(4-methylanilino)-1,1-dioxo-1
The XLogP value of 3.04412 indicates that methyl 3-(4-methylanilino)-1,1-dioxo-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-methylanilino)-1,1-dioxo-1. Following Lipinski's Rule of Five, methyl 3-(4-methylanilino)-1,1-dioxo-1 has 1 hydrogen bond donor(s) and 6 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 methyl 3-(4-methylanilino)-1,1-dioxo-1?
The CAS number of methyl 3-(4-methylanilino)-1,1-dioxo-1 is 730242-84-9.
What is the molecular formula of methyl 3-(4-methylanilino)-1,1-dioxo-1?
The molecular formula of methyl 3-(4-methylanilino)-1,1-dioxo-1 is C16H14N2O4S2.
What is the molecular weight of methyl 3-(4-methylanilino)-1,1-dioxo-1?
The molecular weight of methyl 3-(4-methylanilino)-1,1-dioxo-1 is 362.04 g/mol.
Where can I buy methyl 3-(4-methylanilino)-1,1-dioxo-1?
You can request a quote for methyl 3-(4-methylanilino)-1,1-dioxo-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-methylanilino)-1,1-dioxo-1?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-methylanilino)-1,1-dioxo-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.