3-Nitro-4-phenoxybenzenesulfonic acid
TL;DR: 3-Nitro-4-phenoxybenzenesulfonic acid (CAS 102238-65-3) is a chemical compound with molecular formula C12H9NO6S and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-phenoxybenzenesulfonic acid
Also Known As: 3-nitro-4-phenoxybenzenesulfonic acid, 3-nitro-4-phenoxy-benzenesulfonic Acid, 659-740-3, RefChem:504435
| Molecular Formula | C12H9NO6S |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.6338 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.01505 |
| Heavy Atoms | 20 |
| Complexity | 741.7978 |
Chemical Identifiers
| CAS Number | 102238-65-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitro-4-phenoxybenzenesulfonic acid (CAS 102238-65-3), with molecular formula C12H9NO6S and molecular weight 295.02 g/mol. IUPAC: 3-nitro-4-phenoxybenzenesulfonic acid.
Chemical Property Profile of 3-Nitro-4-phenoxybenzenesulfonic acid
Property Insights of 3-Nitro-4-phenoxybenzenesulfonic acid
The XLogP value of 2.6338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-phenoxybenzenesulfonic acid. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-phenoxybenzenesulfonic acid. Following Lipinski's Rule of Five, 3-Nitro-4-phenoxybenzenesulfonic acid has 1 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 3-Nitro-4-phenoxybenzenesulfonic acid?
The CAS number of 3-Nitro-4-phenoxybenzenesulfonic acid is 102238-65-3.
What is the molecular formula of 3-Nitro-4-phenoxybenzenesulfonic acid?
The molecular formula of 3-Nitro-4-phenoxybenzenesulfonic acid is C12H9NO6S.
What is the molecular weight of 3-Nitro-4-phenoxybenzenesulfonic acid?
The molecular weight of 3-Nitro-4-phenoxybenzenesulfonic acid is 295.02 g/mol.
Where can I buy 3-Nitro-4-phenoxybenzenesulfonic acid?
You can request a quote for 3-Nitro-4-phenoxybenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-phenoxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-phenoxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.