3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
TL;DR: 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 39760-05-9) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Also Known As: 2-methyl-N-acetamidotryptamine, IDI1_007314, 3-((4-methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide, BAS 04881335, 3-Thiophenamine, 2,3-dihydro-N-(4-methoxyphenyl)-, 1,1-dioxide
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.4178 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 490.46588 |
Chemical Identifiers
| CAS Number | 39760-05-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2CS(=O)(=O)C=C2 |
Product Overview
3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 39760-05-9), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
Property Insights of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
The XLogP value of 1.4178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 55.4 Ų, 3-((4-Methoxyphenyl)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-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide has 1 hydrogen bond donor(s) and 4 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-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The CAS number of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is 39760-05-9.
What is the molecular formula of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is C11H13NO3S.
What is the molecular weight of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is 239.06 g/mol.
Where can I buy 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-((4-Methoxyphenyl)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-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methoxyphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.