1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide
TL;DR: 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide (CAS 485318-56-7) is a chemical compound with molecular formula C12H7BrN2O4S2 and molecular weight 385.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-bromophenyl)-3-nitro-7λ6,9λ4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide
Also Known As: 7-(4-bromophenyl)-4-nitro-7, 1-(4-bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide, AA-516/31409051, 3-(4-bromophenyl)-5-nitrobenzo[1.3.2]dithiazolium-ylide 1,1-dioxide, 9-(4-bromophenyl)-3-nitro-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide
| Molecular Formula | C12H7BrN2O4S2 |
|---|---|
| Molecular Weight | 385.90 g/mol |
| LogP | 3.2795 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.90305 |
| Heavy Atoms | 21 |
| Complexity | 891.9735 |
Chemical Identifiers
| CAS Number | 485318-56-7 |
|---|---|
| SMILES | C1=CC(=CC=C1S2=NS(=O)(=O)C3=C2C=C(C=C3)[N+](=O)[O-])Br |
Product Overview
1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide (CAS 485318-56-7), with molecular formula C12H7BrN2O4S2 and molecular weight 385.90 g/mol. IUPAC: 9-(4-bromophenyl)-3-nitro-7λ6,9λ4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide.
Chemical Property Profile of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide
Property Insights of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide
The XLogP value of 3.2795 indicates that 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide has 0 hydrogen bond donor(s) and 4 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-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide?
The CAS number of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide is 485318-56-7.
What is the molecular formula of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide?
The molecular formula of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide is C12H7BrN2O4S2.
What is the molecular weight of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide?
The molecular weight of 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide is 385.90 g/mol.
Where can I buy 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide?
You can request a quote for 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.