N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
TL;DR: N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CAS 878724-93-7) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Also Known As: ASN 12770369, N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine, VU0407811-2, 3-((2,4-dimethylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide, F3101-0020
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.02604 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 531.94977 |
Chemical Identifiers
| CAS Number | 878724-93-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2CS(=O)(=O)C=C2)C |
Product Overview
N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CAS 878724-93-7), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Property Insights of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
The XLogP value of 2.02604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine. With a topological polar surface area (TPSA) of 46.17 Ų, N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine 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 N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The CAS number of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is 878724-93-7.
What is the molecular formula of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The molecular formula of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is C12H15NO2S.
What is the molecular weight of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The molecular weight of N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is 237.08 g/mol.
Where can I buy N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
You can request a quote for N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.