1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose
TL;DR: 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose (CAS 30545-78-9) is a chemical compound with molecular formula C20H26O5S and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-benzylsulfanylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-6-yl) acetate
Also Known As: 1-o-acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose, 1-O-Acetyl-2-S-benzyl-3,4-O-(cyclohexane-1,1-diyl)-2-thiopentopyranose, (7-benzylsulfanylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-6-yl) acetate
| Molecular Formula | C20H26O5S |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1501 |
| Heavy Atoms | 26 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 30545-78-9 |
|---|---|
| SMILES | CC(=O)OC1C(C2C(CO1)OC3(O2)CCCCC3)SCC4=CC=CC=C4 |
| InChIKey | BEQMQIJYJMGIHC-UHFFFAOYSA-N |
Product Overview
1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose (CAS 30545-78-9), with molecular formula C20H26O5S and molecular weight 378.15 g/mol. IUPAC: (7-benzylsulfanylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-6-yl) acetate.
Chemical Property Profile of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose
Property Insights of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose
The XLogP value of 3.5 indicates that 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose. Following Lipinski's Rule of Five, 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose has 0 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 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose?
The CAS number of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose is 30545-78-9.
What is the molecular formula of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose?
The molecular formula of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose is C20H26O5S.
What is the molecular weight of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose?
The molecular weight of 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose is 378.15 g/mol.
Where can I buy 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose?
You can request a quote for 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1-o-Acetyl-2-s-benzyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.