3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose
TL;DR: 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose (CAS 7702-25-2) is a chemical compound with molecular formula C13H18O8S and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 4-methylbenzenesulfonate
Also Known As: 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose, [2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 4-methylbenzenesulfonate, RefChem:935685
| Molecular Formula | C13H18O8S |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.07224 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 7702-25-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2O)O)CO)O |
| InChIKey | SEZGCVGCUSMQCH-UHFFFAOYSA-N |
Product Overview
3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose (CAS 7702-25-2), with molecular formula C13H18O8S and molecular weight 334.07 g/mol. IUPAC: [2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose
Property Insights of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose
The XLogP value of -0.6 indicates that 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose has 4 hydrogen bond donor(s) and 8 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 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose?
The CAS number of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose is 7702-25-2.
What is the molecular formula of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose?
The molecular formula of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose is C13H18O8S.
What is the molecular weight of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose?
The molecular weight of 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose is 334.07 g/mol.
Where can I buy 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose?
You can request a quote for 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 3-O-(4-Methylbenzene-1-sulfonyl)hexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.