Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside
TL;DR: Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside (CAS 72235-82-6) is a chemical compound with molecular formula C21H24O5S and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
Also Known As: methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside, 7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
| Molecular Formula | C21H24O5S |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.13443 |
| Heavy Atoms | 27 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 72235-82-6 |
|---|---|
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)SCC4=CC=CC=C4 |
| InChIKey | TWTCYHBLKCHGFC-UHFFFAOYSA-N |
Product Overview
Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside (CAS 72235-82-6), with molecular formula C21H24O5S and molecular weight 388.13 g/mol. IUPAC: 7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
Chemical Property Profile of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside
Property Insights of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside. Following Lipinski's Rule of Five, Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside has 1 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 Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside?
The CAS number of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside is 72235-82-6.
What is the molecular formula of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside?
The molecular formula of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside is C21H24O5S.
What is the molecular weight of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside?
The molecular weight of Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside is 388.13 g/mol.
Where can I buy Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside?
You can request a quote for Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-s-benzyl-4,6-o-benzylidene-2-thiohexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.