3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
TL;DR: 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 39565-75-8) is a chemical compound with molecular formula C10H10ClNO2S and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Also Known As: 4-p-Chlor-anilino-2-sulfolen, 3-((4-chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide, BAS 00159022, N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine, N-(4-chlorophenyl)-2,3-dihydrothiophen-3-amine 1,1-dioxide
| Molecular Formula | C10H10ClNO2S |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 2.0626 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.01208 |
| Heavy Atoms | 15 |
| Complexity | 478.64877 |
Chemical Identifiers
| CAS Number | 39565-75-8 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)NC2=CC=C(C=C2)Cl |
Product Overview
3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 39565-75-8), with molecular formula C10H10ClNO2S and molecular weight 243.01 g/mol. IUPAC: N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
Property Insights of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
The XLogP value of 2.0626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 46.17 Ų, 3-((4-Chlorophenyl)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-Chlorophenyl)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-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The CAS number of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is 39565-75-8.
What is the molecular formula of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is C10H10ClNO2S.
What is the molecular weight of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide is 243.01 g/mol.
Where can I buy 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-((4-Chlorophenyl)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-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.