3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
TL;DR: 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 831245-55-7) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-N-(4-propan-2-ylphenyl)-2,3-dihydrothiophen-3-amine
Also Known As: 3-((4-isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide, 1,1-dioxo-N-(4-propan-2-ylphenyl)-2,3-dihydrothiophen-3-amine, F1738-0001, (1,1-dioxido-2,3-dihydro-3-thienyl)(4-isopropylphenyl)amine, 4-{[4-(methylethyl)phenyl]amino}-4,5-dihydrothiophene-1,1-dione
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.5326 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 514.85535 |
Chemical Identifiers
| CAS Number | 831245-55-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC2CS(=O)(=O)C=C2 |
Product Overview
3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 831245-55-7), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: 1,1-dioxo-N-(4-propan-2-ylphenyl)-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
Property Insights of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
The XLogP value of 2.5326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 46.17 Ų, 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide 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 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The CAS number of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is 831245-55-7.
What is the molecular formula of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is C13H17NO2S.
What is the molecular weight of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is 251.10 g/mol.
Where can I buy 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.