1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
TL;DR: 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene (CAS 1046-75-9) is a chemical compound with molecular formula C12H6BrN3O7S and molecular weight 414.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
Also Known As: 1-(4-bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene, (4-Brom-3-nitrophenyl)-(2,4-dinitrophenyl)-sulfoxid, 1-(4-Bromo-3-nitrobenzene-1-sulfinyl)-2,4-dinitrobenzene
| Molecular Formula | C12H6BrN3O7S |
|---|---|
| Molecular Weight | 414.91 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.91098 |
| Heavy Atoms | 24 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 1046-75-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-] |
| InChIKey | SRTXXDIJSMABPZ-UHFFFAOYSA-N |
Product Overview
1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene (CAS 1046-75-9), with molecular formula C12H6BrN3O7S and molecular weight 414.91 g/mol. IUPAC: 1-(4-bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
Property Insights of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene. The TPSA of 174.0 Ų indicates high polarity, suggesting 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene has 0 hydrogen bond donor(s) and 8 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 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
The CAS number of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is 1046-75-9.
What is the molecular formula of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
The molecular formula of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is C12H6BrN3O7S.
What is the molecular weight of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
The molecular weight of 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene is 414.91 g/mol.
Where can I buy 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
You can request a quote for 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.