![[2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate structure](/static/products/7045/7045-83-2.webp)
[2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate
TL;DR: [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate (CAS 7045-83-2) is a chemical compound with molecular formula C34H32O10S2 and molecular weight 664.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate
Also Known As: [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate|2-methoxy-4-(7-methoxy-6-{[(4-methylphenyl)sulfonyl]oxy}-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl)phenyl 4-methylbenzenesulfonate|4,8-Dioxa-3,9-disilaundecan-6-amine,2,2,3,3,9,9,10,10-octamethyl|2-Methoxy-4-{7-methoxy-6-[(4-methylbenzene-1-sulfonyl)oxy]-1-oxo-1,3,3a,4,9,9a-hexahydronaphtho[2,3-c]furan-4-yl}phenyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C34H32O10S2 |
|---|---|
| Molecular Weight | 664.14 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 664.1437 |
| Heavy Atoms | 46 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 7045-83-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3C4COC(=O)C4CC5=CC(=C(C=C35)OS(=O)(=O)C6=CC=C(C=C6)C)OC)OC |
| InChIKey | QEKFFFZVAVILAU-UHFFFAOYSA-N |
Product Overview
[2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate (CAS 7045-83-2), with molecular formula C34H32O10S2 and molecular weight 664.14 g/mol. IUPAC: [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate
Property Insights of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate
The XLogP value of 6.4 indicates that [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate?
The CAS number of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate is 7045-83-2.
What is the molecular formula of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate?
The molecular formula of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate is C34H32O10S2.
What is the molecular weight of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate?
The molecular weight of [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate is 664.14 g/mol.
Where can I buy [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate?
You can request a quote for [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2-methoxy-4-[7-methoxy-6-(4-methylphenyl)sulfonyloxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]phenyl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.