4-Ethylphenyl 2-nitrobenzenesulfonate
TL;DR: 4-Ethylphenyl 2-nitrobenzenesulfonate (CAS 25359-84-6) 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.
(4-ethylphenyl) 2-nitrobenzenesulfonate
Also Known As: 4-ethylphenyl 2-nitrobenzenesulfonate, (4-ethylphenyl) 2-nitrobenzenesulfonate, p-Ethylphenyl-o-nitrobenzolsulfonat, 4-Ethylphenyl 2-nitrobenzene-1-sulfonate, Benzenesulfonic acid,2-nitro-, 4-ethylphenyl ester
| 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 | 4 |
| Exact Mass | 307.05145 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 25359-84-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | YJRFZRSVAHACTJ-UHFFFAOYSA-N |
Product Overview
4-Ethylphenyl 2-nitrobenzenesulfonate (CAS 25359-84-6), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: (4-ethylphenyl) 2-nitrobenzenesulfonate.
Chemical Property Profile of 4-Ethylphenyl 2-nitrobenzenesulfonate
Property Insights of 4-Ethylphenyl 2-nitrobenzenesulfonate
The XLogP value of 3.6 indicates that 4-Ethylphenyl 2-nitrobenzenesulfonate 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-Ethylphenyl 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Ethylphenyl 2-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-Ethylphenyl 2-nitrobenzenesulfonate?
The CAS number of 4-Ethylphenyl 2-nitrobenzenesulfonate is 25359-84-6.
What is the molecular formula of 4-Ethylphenyl 2-nitrobenzenesulfonate?
The molecular formula of 4-Ethylphenyl 2-nitrobenzenesulfonate is C14H13NO5S.
What is the molecular weight of 4-Ethylphenyl 2-nitrobenzenesulfonate?
The molecular weight of 4-Ethylphenyl 2-nitrobenzenesulfonate is 307.05 g/mol.
Where can I buy 4-Ethylphenyl 2-nitrobenzenesulfonate?
You can request a quote for 4-Ethylphenyl 2-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylphenyl 2-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylphenyl 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.