Chlorophenyl 2-nitrobenzenesulphonate
TL;DR: Chlorophenyl 2-nitrobenzenesulphonate (CAS 94088-67-2) 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.
(2-chlorophenyl) 2-nitrobenzenesulfonate
Also Known As: Chlorophenyl 2-nitrobenzenesulphonate, (2-chlorophenyl) 2-nitrobenzenesulfonate, CHLOROPHENYL 2-NITROBENZENESULFONATE, EINECS 302-069-5, 2-Chlorophenyl 2-nitrobenzene-1-sulfonate
| 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 | 759.94794 |
Chemical Identifiers
| CAS Number | 94088-67-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2Cl |
Product Overview
Chlorophenyl 2-nitrobenzenesulphonate (CAS 94088-67-2), with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol. IUPAC: (2-chlorophenyl) 2-nitrobenzenesulfonate.
Chemical Property Profile of Chlorophenyl 2-nitrobenzenesulphonate
Property Insights of Chlorophenyl 2-nitrobenzenesulphonate
The XLogP value of 3.0159 indicates that Chlorophenyl 2-nitrobenzenesulphonate 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 Chlorophenyl 2-nitrobenzenesulphonate. Following Lipinski's Rule of Five, Chlorophenyl 2-nitrobenzenesulphonate 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 Chlorophenyl 2-nitrobenzenesulphonate?
The CAS number of Chlorophenyl 2-nitrobenzenesulphonate is 94088-67-2.
What is the molecular formula of Chlorophenyl 2-nitrobenzenesulphonate?
The molecular formula of Chlorophenyl 2-nitrobenzenesulphonate is C12H8ClNO5S.
What is the molecular weight of Chlorophenyl 2-nitrobenzenesulphonate?
The molecular weight of Chlorophenyl 2-nitrobenzenesulphonate is 312.98 g/mol.
Where can I buy Chlorophenyl 2-nitrobenzenesulphonate?
You can request a quote for Chlorophenyl 2-nitrobenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorophenyl 2-nitrobenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Chlorophenyl 2-nitrobenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.