4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside
TL;DR: 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside (CAS 358681-69-3) is a chemical compound with molecular formula C21H26O9S and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate
Also Known As: 4-methylphenyl 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranoside, 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside, 4-Methylphenyl2,3,4,6-Tetra-O-acetyl-thio-D-galactopyranoside, 4'-Methylphenyl-1-thio-.beta.-d-galactoside, tetraacetate, 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-mannopyranoside
| Molecular Formula | C21H26O9S |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.12976 |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 358681-69-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XRFOIRMXQHXTRL-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside (CAS 358681-69-3), with molecular formula C21H26O9S and molecular weight 454.13 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate.
Chemical Property Profile of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside
Property Insights of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside
The XLogP value of 3.3 indicates that 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside has 0 hydrogen bond donor(s) and 10 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 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside?
The CAS number of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside is 358681-69-3.
What is the molecular formula of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside?
The molecular formula of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside is C21H26O9S.
What is the molecular weight of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside?
The molecular weight of 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside is 454.13 g/mol.
Where can I buy 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside?
You can request a quote for 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.