2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate
TL;DR: 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate (CAS 865611-70-7) is a chemical compound with molecular formula C16H18O4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) 4-methoxy-3-methylbenzenesulfonate
Also Known As: 2,3-dimethylphenyl 4-methoxy-3-methylbenzenesulfonate, (2,3-dimethylphenyl) 4-methoxy-3-methylbenzenesulfonate, 2,3-dimethylphenyl 4-methoxy-3-methylbenzene-1-sulfonate, F1478-0209
| Molecular Formula | C16H18O4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.38816 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0926 |
| Heavy Atoms | 21 |
| Complexity | 763.8416 |
Chemical Identifiers
| CAS Number | 865611-70-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)C)C |
Product Overview
2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate (CAS 865611-70-7), with molecular formula C16H18O4S and molecular weight 306.09 g/mol. IUPAC: (2,3-dimethylphenyl) 4-methoxy-3-methylbenzenesulfonate.
Chemical Property Profile of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate
Property Insights of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate
The XLogP value of 3.38816 indicates that 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate?
The CAS number of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate is 865611-70-7.
What is the molecular formula of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate?
The molecular formula of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate is C16H18O4S.
What is the molecular weight of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate?
The molecular weight of 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate is 306.09 g/mol.
Where can I buy 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate?
You can request a quote for 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylphenyl 4-methoxy-3-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.