2-Nitrophenyl 4-methylbenzenesulfonate
TL;DR: 2-Nitrophenyl 4-methylbenzenesulfonate (CAS 1226-48-8) 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-nitrophenyl) 4-methylbenzenesulfonate
Also Known As: o-Nitrophenyl tosylate, o-Nitrophenyltosylate, p-Toluenesulfonic acid, o-nitrophenyl ester, 2-nitrophenyl 4-methylbenzene-1-sulfonate, o-nitrophenyl o-toluenesulfonate
| 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 | 431.0 |
Chemical Identifiers
| CAS Number | 1226-48-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | QTBPIGIEYBYSPR-UHFFFAOYSA-N |
Product Overview
2-Nitrophenyl 4-methylbenzenesulfonate (CAS 1226-48-8), with molecular formula C13H11NO5S and molecular weight 293.04 g/mol. IUPAC: (2-nitrophenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Nitrophenyl 4-methylbenzenesulfonate
Property Insights of 2-Nitrophenyl 4-methylbenzenesulfonate
The XLogP value of 3.2 indicates that 2-Nitrophenyl 4-methylbenzenesulfonate 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-Nitrophenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-Nitrophenyl 4-methylbenzenesulfonate 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-Nitrophenyl 4-methylbenzenesulfonate?
The CAS number of 2-Nitrophenyl 4-methylbenzenesulfonate is 1226-48-8.
What is the molecular formula of 2-Nitrophenyl 4-methylbenzenesulfonate?
The molecular formula of 2-Nitrophenyl 4-methylbenzenesulfonate is C13H11NO5S.
What is the molecular weight of 2-Nitrophenyl 4-methylbenzenesulfonate?
The molecular weight of 2-Nitrophenyl 4-methylbenzenesulfonate is 293.04 g/mol.
Where can I buy 2-Nitrophenyl 4-methylbenzenesulfonate?
You can request a quote for 2-Nitrophenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.