Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside
TL;DR: Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside (CAS 30771-64-3) is a chemical compound with molecular formula C19H24O5S and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(6-methoxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl) benzenecarbothioate
Also Known As: zinc,4-methylbenzene-1,2-dithiolate, methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside, Methyl 2-S-benzoyl-3,4-O-(cyclohexane-1,1-diyl)-2-thiopentopyranoside, methyl 2-o-(dimethylcarbamothioyl)-3,4-o-(1-methylethylidene)pentopyranoside, S-(6-methoxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl) benzenecarbothioate
| Molecular Formula | C19H24O5S |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.13443 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 30771-64-3 |
|---|---|
| SMILES | COC1C(C2C(CO1)OC3(O2)CCCCC3)SC(=O)C4=CC=CC=C4 |
| InChIKey | JMKKWCDKSRRZFE-UHFFFAOYSA-N |
Product Overview
Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside (CAS 30771-64-3), with molecular formula C19H24O5S and molecular weight 364.13 g/mol. IUPAC: S-(6-methoxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl) benzenecarbothioate.
Chemical Property Profile of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside
Property Insights of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside
The XLogP value of 3.4 indicates that Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside 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 Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside. Following Lipinski's Rule of Five, Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside 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 Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside?
The CAS number of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside is 30771-64-3.
What is the molecular formula of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside?
The molecular formula of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside is C19H24O5S.
What is the molecular weight of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside?
The molecular weight of Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside is 364.13 g/mol.
Where can I buy Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside?
You can request a quote for Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside 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-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-s-benzoyl-3,4-o-cyclohexane-1,1-diyl-2-thiopentopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.