Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester
TL;DR: Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester (CAS 73688-64-9) is a chemical compound with molecular formula C8H6Br3NO5S and molecular weight 464.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tribromoethyl 4-nitrobenzenesulfonate
Also Known As: 2,2,2-Tribromoethyl p-nitrobenzenesulfonate, Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester, 2,2,2-tribromoethyl 4-nitrobenzenesulfonate, 4-11-00-00189 (Beilstein Handbook Reference), 2,2,2-tribromoethyl 4-nitrobenzene-1-sulfonate
| Molecular Formula | C8H6Br3NO5S |
|---|---|
| Molecular Weight | 464.75 g/mol |
| LogP | 3.1386 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.75168 |
| Heavy Atoms | 18 |
| Complexity | 536.846 |
Chemical Identifiers
| CAS Number | 73688-64-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCC(Br)(Br)Br |
Product Overview
Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester (CAS 73688-64-9), with molecular formula C8H6Br3NO5S and molecular weight 464.75 g/mol. IUPAC: 2,2,2-tribromoethyl 4-nitrobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester
Property Insights of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester
The XLogP value of 3.1386 indicates that Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester has 0 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 Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester?
The CAS number of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester is 73688-64-9.
What is the molecular formula of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester?
The molecular formula of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester is C8H6Br3NO5S.
What is the molecular weight of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester?
The molecular weight of Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester is 464.75 g/mol.
Where can I buy Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester?
You can request a quote for Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, p-nitro-, 2,2,2-tribromoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.