2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene
TL;DR: 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene (CAS 1025612-65-0) is a chemical compound with molecular formula C15H17BrN2O4S and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-3-ethylpent-1-yn-3-amine
Also Known As: 2-((1,1-DIETHYLPROP-2-YNYL)AMINO)-1-((4-BROMOPHENYL)SULFONYL)-1-NITROETHENE, N-[2-(4-bromophenyl)sulfonyl-2-nitro-ethenyl]-3-ethyl-pent-1-yn-3-amine, N-[2-(4-bromophenyl)sulfonyl-2-nitro-vinyl]-3-ethyl-pent-1-yn-3-amine, N-[2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-3-ethylpent-1-yn-3-amine, N-{(Z)-2-[(4-bromophenyl)sulfonyl]-2-nitroethenyl}-3-ethyl-1-pentyn-3-amine
| Molecular Formula | C15H17BrN2O4S |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 3.08 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.00925 |
| Heavy Atoms | 23 |
| Complexity | 744.6767 |
Chemical Identifiers
| CAS Number | 1025612-65-0 |
|---|---|
| SMILES | CCC(CC)(C#C)NC=C([N+](=O)[O-])S(=O)(=O)C1=CC=C(C=C1)Br |
Product Overview
2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene (CAS 1025612-65-0), with molecular formula C15H17BrN2O4S and molecular weight 400.01 g/mol. IUPAC: N-[2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-3-ethylpent-1-yn-3-amine.
Chemical Property Profile of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene
Property Insights of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene
The XLogP value of 3.08 indicates that 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene. Following Lipinski's Rule of Five, 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene has 1 hydrogen bond donor(s) and 5 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 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene?
The CAS number of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene is 1025612-65-0.
What is the molecular formula of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene?
The molecular formula of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene is C15H17BrN2O4S.
What is the molecular weight of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene?
The molecular weight of 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene is 400.01 g/mol.
Where can I buy 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene?
You can request a quote for 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene?
Yes, KEHONG BIO provides custom synthesis services for 2-((1,1-Diethylprop-2-ynyl)amino)-1-((4-bromophenyl)sulfonyl)-1-nitroethene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.