2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate
TL;DR: 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate (CAS 52134-32-4) is a chemical compound with molecular formula C14H13NO5S and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylphenyl) 4-nitrobenzenesulfonate
Also Known As: 2,5-dimethylphenyl 4-nitrobenzenesulfonate, 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate, 1,4,2-Dioxazol-5-one,3-(methoxymethyl), (2,5-dimethylphenyl) 4-nitrobenzenesulfonate, F3386-6008
| Molecular Formula | C14H13NO5S |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.05145 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 52134-32-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZHGPEJSJVGXUJI-UHFFFAOYSA-N |
Product Overview
2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate (CAS 52134-32-4), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: (2,5-dimethylphenyl) 4-nitrobenzenesulfonate.
Chemical Property Profile of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate
Property Insights of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate
The XLogP value of 3.6 indicates that 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate 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 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate. Following Lipinski's Rule of Five, 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate 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 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate?
The CAS number of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate is 52134-32-4.
What is the molecular formula of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate?
The molecular formula of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate is C14H13NO5S.
What is the molecular weight of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate?
The molecular weight of 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate is 307.05 g/mol.
Where can I buy 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate?
You can request a quote for 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylphenyl 4-nitrobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.