Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside
TL;DR: Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside (CAS 30545-67-6) is a chemical compound with molecular formula C18H24O4S and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-ol
Also Known As: benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside, Benzyl 3,4-O-(cyclohexane-1,1-diyl)-1-thiopentopyranoside, 6-benzylsulfanylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-ol
| Molecular Formula | C18H24O4S |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.13953 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 30545-67-6 |
|---|---|
| SMILES | C1CCC2(CC1)OC3COC(C(C3O2)O)SCC4=CC=CC=C4 |
| InChIKey | IKSYIUATWYSSDW-UHFFFAOYSA-N |
Product Overview
Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside (CAS 30545-67-6), with molecular formula C18H24O4S and molecular weight 336.14 g/mol. IUPAC: 6-benzylsulfanylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-ol.
Chemical Property Profile of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside
Property Insights of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside. Following Lipinski's Rule of Five, Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside has 1 hydrogen bond donor(s) and 5 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 Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside?
The CAS number of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside is 30545-67-6.
What is the molecular formula of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside?
The molecular formula of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside is C18H24O4S.
What is the molecular weight of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside?
The molecular weight of Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside is 336.14 g/mol.
Where can I buy Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside?
You can request a quote for Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,4-o-cyclohexane-1,1-diyl-1-thiopentopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.