beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate
TL;DR: beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate (CAS 6612-63-1) 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-benzylsulfanyloxan-2-yl)methyl acetate
Also Known As: benzyl 2,3,4,6-tetra-o-acetyl-1-thiohexopyranoside, (3,4,5-triacetyloxy-6-benzylsulfanyloxan-2-yl)methyl acetate, .BETA.-D-GLUCOPYRANOSIDE, PHENYLMETHYL 1-THIO-, TETRAACETATE, beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate, RefChem:567563
| Molecular Formula | C21H26O9S |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.12976 |
| Heavy Atoms | 31 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 6612-63-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)SCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | UVVCYZREUQWNFB-UHFFFAOYSA-N |
Product Overview
beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate (CAS 6612-63-1), with molecular formula C21H26O9S and molecular weight 454.13 g/mol. IUPAC: (3,4,5-triacetyloxy-6-benzylsulfanyloxan-2-yl)methyl acetate.
Chemical Property Profile of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate
Property Insights of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate. The TPSA of 140.0 Ų indicates high polarity, suggesting beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate 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 beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate?
The CAS number of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate is 6612-63-1.
What is the molecular formula of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate?
The molecular formula of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate is C21H26O9S.
What is the molecular weight of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate?
The molecular weight of beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate is 454.13 g/mol.
Where can I buy beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate?
You can request a quote for beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranoside, phenylmethyl 1-thio-, tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.