N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
TL;DR: N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CAS 301229-94-7) 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-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Also Known As: BAS 09807581, BIM-0026608.P001, 3-[(3,4-dimethylphenyl)amino]-2,3-dihydro-1$l^{6}-thiophene-1,1-dione, N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine, AB00686396-01
| 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 | 301229-94-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2CS(=O)(=O)C=C2)C |
Product Overview
N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CAS 301229-94-7), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Property Insights of N-(3,4-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-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine. With a topological polar surface area (TPSA) of 46.17 Ų, N-(3,4-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-(3,4-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-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The CAS number of N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is 301229-94-7.
What is the molecular formula of N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The molecular formula of N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is C12H15NO2S.
What is the molecular weight of N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The molecular weight of N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is 237.08 g/mol.
Where can I buy N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
You can request a quote for N-(3,4-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-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.