![O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate structure](/static/products/1746/17460-27-4.webp)
O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate
TL;DR: O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate (CAS 17460-27-4) is a chemical compound with molecular formula C15H20O6S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate
Also Known As: 2-Methylamino-1-phenyl-2-
| Molecular Formula | C15H20O6S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.07013 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 17460-27-4 |
|---|---|
| SMILES | COC1C(C(C(C(O1)COC(=S)SCC2=CC=CC=C2)O)O)O |
| InChIKey | YHNKUTNGYHBYLZ-UHFFFAOYSA-N |
Product Overview
O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate (CAS 17460-27-4), with molecular formula C15H20O6S2 and molecular weight 360.07 g/mol. IUPAC: O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate.
Chemical Property Profile of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate
Property Insights of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate. The TPSA of 146.0 Ų indicates high polarity, suggesting O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate has 3 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 O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate?
The CAS number of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate is 17460-27-4.
What is the molecular formula of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate?
The molecular formula of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate is C15H20O6S2.
What is the molecular weight of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate?
The molecular weight of O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate is 360.07 g/mol.
Where can I buy O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate?
You can request a quote for O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl] benzylsulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.