4-Chlorophenyl 3-nitrobenzenesulfonate
TL;DR: 4-Chlorophenyl 3-nitrobenzenesulfonate (CAS 138772-11-9) 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) 3-nitrobenzenesulfonate
Also Known As: 4-chlorophenyl 3-nitrobenzenesulfonate, 4-Chlorophenyl m-nitrobenzenesulfonate, (4-chlorophenyl) 3-nitrobenzenesulfonate
| 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 | 742.69794 |
Chemical Identifiers
| CAS Number | 138772-11-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-Chlorophenyl 3-nitrobenzenesulfonate (CAS 138772-11-9), with molecular formula C12H8ClNO5S and molecular weight 312.98 g/mol. IUPAC: (4-chlorophenyl) 3-nitrobenzenesulfonate.
Chemical Property Profile of 4-Chlorophenyl 3-nitrobenzenesulfonate
Property Insights of 4-Chlorophenyl 3-nitrobenzenesulfonate
The XLogP value of 3.0159 indicates that 4-Chlorophenyl 3-nitrobenzenesulfonate 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-Chlorophenyl 3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Chlorophenyl 3-nitrobenzenesulfonate 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-Chlorophenyl 3-nitrobenzenesulfonate?
The CAS number of 4-Chlorophenyl 3-nitrobenzenesulfonate is 138772-11-9.
What is the molecular formula of 4-Chlorophenyl 3-nitrobenzenesulfonate?
The molecular formula of 4-Chlorophenyl 3-nitrobenzenesulfonate is C12H8ClNO5S.
What is the molecular weight of 4-Chlorophenyl 3-nitrobenzenesulfonate?
The molecular weight of 4-Chlorophenyl 3-nitrobenzenesulfonate is 312.98 g/mol.
Where can I buy 4-Chlorophenyl 3-nitrobenzenesulfonate?
You can request a quote for 4-Chlorophenyl 3-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.