![[1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate structure](/static/products/7511/7511-39-9.webp)
[1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate
TL;DR: [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate (CAS 7511-39-9) is a chemical compound with molecular formula C22H28O6S2 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1-bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate
Also Known As: [1,1-bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate|1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl acetate
| Molecular Formula | C22H28O6S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 452.13272 |
| Heavy Atoms | 30 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 7511-39-9 |
|---|---|
| SMILES | CC(=O)OC(C(C(CO)O)O)C(C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)O |
| InChIKey | WXNPKRCDFFIIGT-UHFFFAOYSA-N |
Product Overview
[1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate (CAS 7511-39-9), with molecular formula C22H28O6S2 and molecular weight 452.13 g/mol. IUPAC: [1,1-bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate.
Chemical Property Profile of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate
Property Insights of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate. The TPSA of 158.0 Ų indicates high polarity, suggesting [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate 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 [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate?
The CAS number of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate is 7511-39-9.
What is the molecular formula of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate?
The molecular formula of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate is C22H28O6S2.
What is the molecular weight of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate?
The molecular weight of [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate is 452.13 g/mol.
Where can I buy [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate?
You can request a quote for [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [1,1-Bis(benzylsulfanyl)-2,4,5,6-tetrahydroxyhexan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.