2-Methylphenyl 2-nitrobenzenesulfonate
TL;DR: 2-Methylphenyl 2-nitrobenzenesulfonate (CAS 25357-13-5) is a chemical compound with molecular formula C13H11NO5S and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2-nitrobenzenesulfonate
Also Known As: 2-methylphenyl 2-nitrobenzenesulfonate, (2-methylphenyl) 2-nitrobenzenesulfonate, 2-Nitro-benzolsulfonsaeure-o-tolylester, 2-Methylphenyl 2-nitrobenzene-1-sulfonate, Benzenesulfonic acid, 2-nitro-, 2-methylphenyl ester
| Molecular Formula | C13H11NO5S |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0358 |
| Heavy Atoms | 20 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 25357-13-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | ZHDLPWZPIPVLMQ-UHFFFAOYSA-N |
Product Overview
2-Methylphenyl 2-nitrobenzenesulfonate (CAS 25357-13-5), with molecular formula C13H11NO5S and molecular weight 293.04 g/mol. IUPAC: (2-methylphenyl) 2-nitrobenzenesulfonate.
Chemical Property Profile of 2-Methylphenyl 2-nitrobenzenesulfonate
Property Insights of 2-Methylphenyl 2-nitrobenzenesulfonate
The XLogP value of 3.2 indicates that 2-Methylphenyl 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 2-Methylphenyl 2-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 2-Methylphenyl 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 2-Methylphenyl 2-nitrobenzenesulfonate?
The CAS number of 2-Methylphenyl 2-nitrobenzenesulfonate is 25357-13-5.
What is the molecular formula of 2-Methylphenyl 2-nitrobenzenesulfonate?
The molecular formula of 2-Methylphenyl 2-nitrobenzenesulfonate is C13H11NO5S.
What is the molecular weight of 2-Methylphenyl 2-nitrobenzenesulfonate?
The molecular weight of 2-Methylphenyl 2-nitrobenzenesulfonate is 293.04 g/mol.
Where can I buy 2-Methylphenyl 2-nitrobenzenesulfonate?
You can request a quote for 2-Methylphenyl 2-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylphenyl 2-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl 2-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.