C14H9BrF2N2O4S
TL;DR: C14H9BrF2N2O4S (CAS 1024728-98-0) is a chemical compound with molecular formula C14H9BrF2N2O4S and molecular weight 417.94 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]-2,4-difluoroaniline
Also Known As: 2-((2,4-DIFLUOROPHENYL)AMINO)-1-((4-BROMOPHENYL)SULFONYL)-1-NITROETHENE, N-[2-(4-bromophenyl)sulfonyl-2-nitro-ethenyl]-2,4-difluoro-aniline, N-[2-(4-bromophenyl)sulfonyl-2-nitro-vinyl]-2,4-difluoro-aniline, N-[2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-2,4-difluoroaniline, N-[(E)-2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-2,4-difluoroaniline
| Molecular Formula | C14H9BrF2N2O4S |
|---|---|
| Molecular Weight | 417.94 g/mol |
| LogP | 3.6887 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.94345 |
| Heavy Atoms | 24 |
| Complexity | 914.8717 |
Chemical Identifiers
| CAS Number | 1024728-98-0 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(=CNC2=C(C=C(C=C2)F)F)[N+](=O)[O-])Br |
Product Overview
C14H9BrF2N2O4S (CAS 1024728-98-0), with molecular formula C14H9BrF2N2O4S and molecular weight 417.94 g/mol. IUPAC: N-[2-(4-bromophenyl)sulfonyl-2-nitroethenyl]-2,4-difluoroaniline.
Chemical Property Profile of C14H9BrF2N2O4S
Property Insights of C14H9BrF2N2O4S
The XLogP value of 3.6887 indicates that C14H9BrF2N2O4S 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 C14H9BrF2N2O4S. Following Lipinski's Rule of Five, C14H9BrF2N2O4S 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 C14H9BrF2N2O4S?
The CAS number of C14H9BrF2N2O4S is 1024728-98-0.
What is the molecular formula of C14H9BrF2N2O4S?
The molecular formula of C14H9BrF2N2O4S is C14H9BrF2N2O4S.
What is the molecular weight of C14H9BrF2N2O4S?
The molecular weight of C14H9BrF2N2O4S is 417.94 g/mol.
Where can I buy C14H9BrF2N2O4S?
You can request a quote for C14H9BrF2N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H9BrF2N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C14H9BrF2N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.