Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester
TL;DR: Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester (CAS 53271-19-5) is a chemical compound with molecular formula C12H8BrNO5S and molecular weight 356.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-bromobenzenesulfonate
Also Known As: p-Nitrophenyl p-bromobenzenesulfonate, 4-nitrophenyl 4-bromobenzenesulfonate, (4-nitrophenyl) 4-bromobenzenesulfonate, Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester, 4-Nitrophenyl 4-bromobenzene-1-sulfonate
| Molecular Formula | C12H8BrNO5S |
|---|---|
| Molecular Weight | 356.93 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.93066 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 53271-19-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | JTDCQHDVMWJUEB-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester (CAS 53271-19-5), with molecular formula C12H8BrNO5S and molecular weight 356.93 g/mol. IUPAC: (4-nitrophenyl) 4-bromobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester
Property Insights of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester
The XLogP value of 3.6 indicates that Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, p-bromo-, p-nitrophenyl 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-bromo-, p-nitrophenyl ester?
The CAS number of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester is 53271-19-5.
What is the molecular formula of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester?
The molecular formula of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester is C12H8BrNO5S.
What is the molecular weight of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester?
The molecular weight of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester is 356.93 g/mol.
Where can I buy Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester?
You can request a quote for Benzenesulfonic acid, p-bromo-, p-nitrophenyl 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-bromo-, p-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.