2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
TL;DR: 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione (CAS 650635-81-7) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
Also Known As: 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione, 4,7-Benzothiazoledione,2,5-dimethyl-6-[(4-methylphenyl)amino], 4,7-Benzothiazoledione, 2,5-dimethyl-6-[(4-methylphenyl)amino]-, 6-[N-(4-Methylphenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole, RefChem:247604
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 650635-81-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)SC(=N3)C)C |
| InChIKey | SBWVXENYQXMRHO-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione (CAS 650635-81-7), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione.
Chemical Property Profile of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
Property Insights of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
The XLogP value of 4.0 indicates that 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione. Following Lipinski's Rule of Five, 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione 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 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
The CAS number of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione is 650635-81-7.
What is the molecular formula of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
The molecular formula of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione is C16H14N2O2S.
What is the molecular weight of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
The molecular weight of 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione is 298.08 g/mol.
Where can I buy 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
You can request a quote for 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.