Methanol, (phenylsulfonyl)-, p-toluenesulfonate
TL;DR: Methanol, (phenylsulfonyl)-, p-toluenesulfonate (CAS 31081-06-8) is a chemical compound with molecular formula C14H14O5S2 and molecular weight 326.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonylmethyl 4-methylbenzenesulfonate
Also Known As: methyl4-methylbenzenesulfonate, Methanol, (phenylsulfonyl)-, p-toluenesulfonate, benzenesulfonylmethyl 4-methylbenzenesulfonate, (Phenylsulfonyl)methyl 4-methylbenzenesulfonate, (Phenylsulfonyl)methyl 4-methylbenzenesulfonate #
| Molecular Formula | C14H14O5S2 |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.02826 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 31081-06-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | MXLIOQBUCUTNDK-UHFFFAOYSA-N |
Product Overview
Methanol, (phenylsulfonyl)-, p-toluenesulfonate (CAS 31081-06-8), with molecular formula C14H14O5S2 and molecular weight 326.03 g/mol. IUPAC: benzenesulfonylmethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Methanol, (phenylsulfonyl)-, p-toluenesulfonate
Property Insights of Methanol, (phenylsulfonyl)-, p-toluenesulfonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanol, (phenylsulfonyl)-, p-toluenesulfonate. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanol, (phenylsulfonyl)-, p-toluenesulfonate. Following Lipinski's Rule of Five, Methanol, (phenylsulfonyl)-, p-toluenesulfonate 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 Methanol, (phenylsulfonyl)-, p-toluenesulfonate?
The CAS number of Methanol, (phenylsulfonyl)-, p-toluenesulfonate is 31081-06-8.
What is the molecular formula of Methanol, (phenylsulfonyl)-, p-toluenesulfonate?
The molecular formula of Methanol, (phenylsulfonyl)-, p-toluenesulfonate is C14H14O5S2.
What is the molecular weight of Methanol, (phenylsulfonyl)-, p-toluenesulfonate?
The molecular weight of Methanol, (phenylsulfonyl)-, p-toluenesulfonate is 326.03 g/mol.
Where can I buy Methanol, (phenylsulfonyl)-, p-toluenesulfonate?
You can request a quote for Methanol, (phenylsulfonyl)-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanol, (phenylsulfonyl)-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methanol, (phenylsulfonyl)-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.