4-Nitrophenyl 4-chlorobenzenesulfonate
TL;DR: 4-Nitrophenyl 4-chlorobenzenesulfonate (CAS 32530-94-2) 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-nitrophenyl) 4-chlorobenzenesulfonate
Also Known As: 4-nitrophenyl 4-chlorobenzenesulfonate, 4-nitrophenyl 4-chlorobenzene-1-sulfonate, p-Nitrophenyl p-chlorobenzenesulphonate, (4-nitrophenyl) 4-chlorobenzenesulfonate, p-Chlorobenzenesulfonic acid p-nitrophenyl ester
| Molecular Formula | C12H8ClNO5S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.98117 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 32530-94-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | GPDGTKIBAZPSFN-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 4-chlorobenzenesulfonate (CAS 32530-94-2), with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol. IUPAC: (4-nitrophenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-Nitrophenyl 4-chlorobenzenesulfonate
Property Insights of 4-Nitrophenyl 4-chlorobenzenesulfonate
The XLogP value of 3.5 indicates that 4-Nitrophenyl 4-chlorobenzenesulfonate 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 4-Nitrophenyl 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-chlorobenzenesulfonate 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-Nitrophenyl 4-chlorobenzenesulfonate?
The CAS number of 4-Nitrophenyl 4-chlorobenzenesulfonate is 32530-94-2.
What is the molecular formula of 4-Nitrophenyl 4-chlorobenzenesulfonate?
The molecular formula of 4-Nitrophenyl 4-chlorobenzenesulfonate is C12H8ClNO5S.
What is the molecular weight of 4-Nitrophenyl 4-chlorobenzenesulfonate?
The molecular weight of 4-Nitrophenyl 4-chlorobenzenesulfonate is 312.98 g/mol.
Where can I buy 4-Nitrophenyl 4-chlorobenzenesulfonate?
You can request a quote for 4-Nitrophenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.