![4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione structure](/static/products/3956/39565-76-9.webp)
4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione
TL;DR: 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione (CAS 39565-76-9) is a chemical compound with molecular formula C10H10BrNO2S and molecular weight 286.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Also Known As: N-(3-bromophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine, 4-[(3-bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione, 3-((3-bromophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide, N-(3-bromophenyl)-2,3-dihydrothiophen-3-amine 1,1-dioxide, (3-Bromo-phenyl)-(1,1-dioxo-2,3-dihydro-1H-1lambda*6*-thiophen-3-yl)-amine
| Molecular Formula | C10H10BrNO2S |
|---|---|
| Molecular Weight | 286.96 g/mol |
| LogP | 2.1717 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.96155 |
| Heavy Atoms | 15 |
| Complexity | 495.89877 |
Chemical Identifiers
| CAS Number | 39565-76-9 |
|---|---|
| SMILES | C1C(C=CS1(=O)=O)NC2=CC(=CC=C2)Br |
Product Overview
4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione (CAS 39565-76-9), with molecular formula C10H10BrNO2S and molecular weight 286.96 g/mol. IUPAC: N-(3-bromophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
Chemical Property Profile of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione
Property Insights of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione
The XLogP value of 2.1717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione 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 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione?
The CAS number of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione is 39565-76-9.
What is the molecular formula of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione?
The molecular formula of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione is C10H10BrNO2S.
What is the molecular weight of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione?
The molecular weight of 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione is 286.96 g/mol.
Where can I buy 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione?
You can request a quote for 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Bromophenyl)amino]-4,5-dihydrothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.