4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester
TL;DR: 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester (CAS 128886-84-0) is a chemical compound with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 4-nitrobenzenesulfonate
Also Known As: p-Chlorophenyl p-nitrobenzenesulphonate, (4-chlorophenyl) 4-nitrobenzenesulfonate, 4-chlorophenyl 4-nitrobenzene-1-sulfonate, 1-(4-chlorophenoxy)sulfonyl-4-nitro-benzene, 4-NITRO-BENZENESULFONIC ACID 4-CHLORO-PHENYL ESTER
| Molecular Formula | C12H8ClNO5S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 3.0159 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.98117 |
| Heavy Atoms | 20 |
| Complexity | 725.44794 |
Chemical Identifiers
| CAS Number | 128886-84-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)Cl |
Product Overview
4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester (CAS 128886-84-0), with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol. IUPAC: (4-chlorophenyl) 4-nitrobenzenesulfonate.
Chemical Property Profile of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester
Property Insights of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester
The XLogP value of 3.0159 indicates that 4-Nitro-benzenesulfonic acid 4-chloro-phenyl 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 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester. Following Lipinski's Rule of Five, 4-Nitro-benzenesulfonic acid 4-chloro-phenyl 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 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester?
The CAS number of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester is 128886-84-0.
What is the molecular formula of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester?
The molecular formula of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester is C12H8ClNO5S.
What is the molecular weight of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester?
The molecular weight of 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester is 312.98 g/mol.
Where can I buy 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester?
You can request a quote for 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-benzenesulfonic acid 4-chloro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.