![2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione structure](/static/products/3261/326184-35-4.webp)
2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione (CAS 326184-35-4) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione, 2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-methylcyclohexa-2,5-diene-1,4-dione, 3-[methyl(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-1lambda6-thiolane-1,1-dione
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.0873 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 570.8848 |
Chemical Identifiers
| CAS Number | 326184-35-4 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=O)N(C)C2CCS(=O)(=O)C2 |
Product Overview
2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione (CAS 326184-35-4), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: 2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione
The XLogP value of 0.0873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione has 0 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-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione is 326184-35-4.
What is the molecular formula of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione is C12H15NO4S.
What is the molecular weight of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione is 269.07 g/mol.
Where can I buy 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-methyl-cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.