![1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate structure](/static/products/6489/64896-27-1.webp)
1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate
TL;DR: 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate (CAS 64896-27-1) is a chemical compound with molecular formula C18H22O6S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonyloxybutan-2-yl 4-methylbenzenesulfonate
Also Known As: (-)-2,3-Butanediyl di(p-toluenesulfonate), (2S,3S)-(-)-2,3-Butanediol di-p-tosylate, (2R,3R)-(+)-2,3-BUTANEDIOL DI-P-TOSYLATE,99, 3-(4-methylphenyl)sulfonyloxybutan-2-yl 4-methylbenzenesulfonate, 1-methyl-4-[3-(4-methylphenyl)sulfonyloxybutan-2-yloxysulfonyl]benzene
| Molecular Formula | C18H22O6S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.19124 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.0858 |
| Heavy Atoms | 26 |
| Complexity | 864.24585 |
Chemical Identifiers
| CAS Number | 64896-27-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C)OS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate (CAS 64896-27-1), with molecular formula C18H22O6S2 and molecular weight 398.09 g/mol. IUPAC: 3-(4-methylphenyl)sulfonyloxybutan-2-yl 4-methylbenzenesulfonate.
Chemical Property Profile of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate
Property Insights of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate
The XLogP value of 3.19124 indicates that 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate 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 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate 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 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate?
The CAS number of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate is 64896-27-1.
What is the molecular formula of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate?
The molecular formula of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate is C18H22O6S2.
What is the molecular weight of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate?
The molecular weight of 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate is 398.09 g/mol.
Where can I buy 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate?
You can request a quote for 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.