2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
TL;DR: 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol (CAS 2936-70-1) is a chemical compound with molecular formula C13H18O5S and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
Also Known As: Phenyl-beta-D-thioglucopyranoside, 4-Methylphenyl 1-thiohexopyranoside #, 4-Methylphenyl b-D-thioglucopyranoside, 4-Methylphenyl-a-D-thiomannopyranoside, Phenyl 1-thiol-alpha-D-mannopyranoside
| Molecular Formula | C13H18O5S |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0875 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 2936-70-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O |
| InChIKey | IQCLIQLFPVKINX-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol (CAS 2936-70-1), with molecular formula C13H18O5S and molecular weight 286.09 g/mol. IUPAC: 2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol.
Chemical Property Profile of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
Property Insights of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol has 4 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 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol?
The CAS number of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol is 2936-70-1.
What is the molecular formula of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol?
The molecular formula of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol is C13H18O5S.
What is the molecular weight of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol?
The molecular weight of 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol is 286.09 g/mol.
Where can I buy 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol?
You can request a quote for 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.