![(6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate structure](/static/products/4234/4234-42-8.webp)
(6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
TL;DR: (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate (CAS 4234-42-8) is a chemical compound with molecular formula C21H22O8S and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
Also Known As: (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate, 9-methoxy-8-(4-methylphenyl)sulfonyloxy-4-phenyl-3,5,10-trioxabicyclo[4.4.0]decan-7-one, Methyl 4,6-O-benzylidene-2-O-(4-methylbenzene-1-sulfonyl)hexopyranosid-3-ulose
| Molecular Formula | C21H22O8S |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.10355 |
| Heavy Atoms | 30 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 4234-42-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3COC(OC3C2=O)C4=CC=CC=C4)OC |
| InChIKey | PNBPHQHQWIKLKD-UHFFFAOYSA-N |
Product Overview
(6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate (CAS 4234-42-8), with molecular formula C21H22O8S and molecular weight 434.10 g/mol. IUPAC: (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
Property Insights of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 8 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 (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate?
The CAS number of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate is 4234-42-8.
What is the molecular formula of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate?
The molecular formula of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate is C21H22O8S.
What is the molecular weight of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate?
The molecular weight of (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate is 434.10 g/mol.
Where can I buy (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate?
You can request a quote for (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (6-methoxy-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.