3,5-Dibromo-4-nitrosobenzenesulfonate
TL;DR: 3,5-Dibromo-4-nitrosobenzenesulfonate (CAS 83016-63-1) is a chemical compound with molecular formula C6H3Br2NO4S and molecular weight 342.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-4-nitrosobenzenesulfonic acid
Also Known As: DBNBS, 3,5-Dibromo-4-nitrosobenzenesulfonate, 3,5-dibromo-4-nitrosobenzenesulfonic acid, Benzenesulfonic acid, 3,5-dibromo-4-nitroso-, 3,5-dibromo-4-nitrosobenzene sulfonate
| Molecular Formula | C6H3Br2NO4S |
|---|---|
| Molecular Weight | 342.81 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.8129 |
| Heavy Atoms | 14 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 83016-63-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)N=O)Br)S(=O)(=O)O |
| InChIKey | NTFXNXQDQBCQSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dibromo-4-nitrosobenzenesulfonate (CAS 83016-63-1), with molecular formula C6H3Br2NO4S and molecular weight 342.81 g/mol. IUPAC: 3,5-dibromo-4-nitrosobenzenesulfonic acid.
Chemical Property Profile of 3,5-Dibromo-4-nitrosobenzenesulfonate
Property Insights of 3,5-Dibromo-4-nitrosobenzenesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-4-nitrosobenzenesulfonate. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-4-nitrosobenzenesulfonate. Following Lipinski's Rule of Five, 3,5-Dibromo-4-nitrosobenzenesulfonate 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 3,5-Dibromo-4-nitrosobenzenesulfonate?
The CAS number of 3,5-Dibromo-4-nitrosobenzenesulfonate is 83016-63-1.
What is the molecular formula of 3,5-Dibromo-4-nitrosobenzenesulfonate?
The molecular formula of 3,5-Dibromo-4-nitrosobenzenesulfonate is C6H3Br2NO4S.
What is the molecular weight of 3,5-Dibromo-4-nitrosobenzenesulfonate?
The molecular weight of 3,5-Dibromo-4-nitrosobenzenesulfonate is 342.81 g/mol.
Where can I buy 3,5-Dibromo-4-nitrosobenzenesulfonate?
You can request a quote for 3,5-Dibromo-4-nitrosobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-4-nitrosobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-4-nitrosobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.