2-Ethylphenyl 3-nitrobenzenesulfonate
TL;DR: 2-Ethylphenyl 3-nitrobenzenesulfonate (CAS 2535-38-8) 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-ethylphenyl) 3-nitrobenzenesulfonate
Also Known As: 2-ethylphenyl 3-nitrobenzenesulfonate, (2-ethylphenyl) 3-nitrobenzenesulfonate, o-Ethylphenyl-m-nitrobenzolsulfonat, 2-Ethylphenyl 3-nitrobenzene-1-sulfonate, Benzenesulfonicacid, 3-nitro-, 2-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 | 453.0 |
Chemical Identifiers
| CAS Number | 2535-38-8 |
|---|---|
| SMILES | CCC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | IJLXULGUXAFEKD-UHFFFAOYSA-N |
Product Overview
2-Ethylphenyl 3-nitrobenzenesulfonate (CAS 2535-38-8), with molecular formula C14H13NO5S and molecular weight 307.05 g/mol. IUPAC: (2-ethylphenyl) 3-nitrobenzenesulfonate.
Chemical Property Profile of 2-Ethylphenyl 3-nitrobenzenesulfonate
Property Insights of 2-Ethylphenyl 3-nitrobenzenesulfonate
The XLogP value of 3.6 indicates that 2-Ethylphenyl 3-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 2-Ethylphenyl 3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Ethylphenyl 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 2-Ethylphenyl 3-nitrobenzenesulfonate?
The CAS number of 2-Ethylphenyl 3-nitrobenzenesulfonate is 2535-38-8.
What is the molecular formula of 2-Ethylphenyl 3-nitrobenzenesulfonate?
The molecular formula of 2-Ethylphenyl 3-nitrobenzenesulfonate is C14H13NO5S.
What is the molecular weight of 2-Ethylphenyl 3-nitrobenzenesulfonate?
The molecular weight of 2-Ethylphenyl 3-nitrobenzenesulfonate is 307.05 g/mol.
Where can I buy 2-Ethylphenyl 3-nitrobenzenesulfonate?
You can request a quote for 2-Ethylphenyl 3-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylphenyl 3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylphenyl 3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.