2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate
TL;DR: 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate (CAS 301657-51-2) is a chemical compound with molecular formula C19H16O6S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzenesulfonyloxy)-2-methylphenyl] benzenesulfonate
Also Known As: 2-methyl-1,3-phenylene dibenzenesulfonate, BAS 00127696, 2-methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate, [3-(benzenesulfonyloxy)-2-methylphenyl] benzenesulfonate, 2-methyl-3-[(phenylsulfonyl)oxy]phenyl benzenesulfonate
| Molecular Formula | C19H16O6S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 3.53042 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.03882 |
| Heavy Atoms | 27 |
| Complexity | 1049.569 |
Chemical Identifiers
| CAS Number | 301657-51-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1OS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate (CAS 301657-51-2), with molecular formula C19H16O6S2 and molecular weight 404.04 g/mol. IUPAC: [3-(benzenesulfonyloxy)-2-methylphenyl] benzenesulfonate.
Chemical Property Profile of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate
Property Insights of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate
The XLogP value of 3.53042 indicates that 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate. Following Lipinski's Rule of Five, 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate has 0 hydrogen bond donor(s) and 6 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-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate?
The CAS number of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate is 301657-51-2.
What is the molecular formula of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate?
The molecular formula of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate is C19H16O6S2.
What is the molecular weight of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate?
The molecular weight of 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate is 404.04 g/mol.
Where can I buy 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate?
You can request a quote for 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(phenylsulfonyloxy)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.