![3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane structure](/static/products/5379/53796-89-7.webp)
3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane
TL;DR: 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane (CAS 53796-89-7) is a chemical compound with molecular formula C16H22O7S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate
Also Known As: 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane, methyl 3,4-o-(1-methylethylidene)-2-o-[(4-methylphenyl)sulfonyl]pentopyranoside, (6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate, methyl 3,4-di-o-acetyl-2-o-[(4-methylphenyl)sulfonyl]pentopyranoside, Methyl 2-O-(4-methylbenzene-1-sulfonyl)-3,4-O-(1-methylethylidene)pentopyranoside
| Molecular Formula | C16H22O7S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1086 |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 53796-89-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(COC2OC)OC(O3)(C)C |
| InChIKey | KTMSTUJYKUUYGJ-UHFFFAOYSA-N |
Product Overview
3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane (CAS 53796-89-7), with molecular formula C16H22O7S and molecular weight 358.11 g/mol. IUPAC: (6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane
Property Insights of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane. Following Lipinski's Rule of Five, 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane has 0 hydrogen bond donor(s) and 7 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 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane?
The CAS number of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane is 53796-89-7.
What is the molecular formula of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane?
The molecular formula of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane is C16H22O7S.
What is the molecular weight of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane?
The molecular weight of 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane is 358.11 g/mol.
Where can I buy 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane?
You can request a quote for 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.