2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate
TL;DR: 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate (CAS 153904-93-9) is a chemical compound with molecular formula C16H18O5S and molecular weight 322.0875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,6-bis(hydroxymethyl)-4-methylphenyl] 4-methylbenzenesulfonate
Also Known As: 2,6-BIS(HYDROXYMETHYL)-4-METHYLPHENYL P-TOLUENESULFONATE, 2,6-bis(hydroxymethyl)-4-methylphenyl 4-methylbenzenesulfonate, 2,6-bis(hydroxymethyl)-4-methylphenyl 4-methylbenzene-1-sulfonate, [2,6-bis(hydroxymethyl)-4-methylphenyl] 4-methylbenzenesulfonate, 651-859-9
Technical Specifications
| Molecular Formula | C16H18O5S |
| Molecular Weight | 322.0875 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0875 Da |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2CO)C)CO |
| InChIKey | VSWDJKLFSONQJD-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate
Property Insights of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate. Following Lipinski's Rule of Five, 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate?
The CAS number of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate is 153904-93-9.
What is the molecular formula of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate?
The molecular formula of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate is C16H18O5S.
What is the molecular weight of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate?
The molecular weight of 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate is 322.0875 g/mol.
Where can I buy 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate?
You can request a quote for 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate?
Yes, CoreyChem provides custom synthesis services for 2,6-Bis(hydroxymethyl)-4-methylphenyl P-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.