[4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran
TL;DR: [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran (CAS 5456-74-6) is a chemical compound with molecular formula C39H36O10S2 and molecular weight 728.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]-2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
Also Known As: [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran|[4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]-2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate|[4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-pyrano[2,3-h]chromen-3-yl]-2-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate|4-[5-Hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-1,2-phenylene bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C39H36O10S2 |
|---|---|
| Molecular Weight | 728.17 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 728.175 |
| Heavy Atoms | 51 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 5456-74-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=COC4=C5C=CC(OC5=C(C(=C4C3=O)O)CC=C(C)C)(C)C)OS(=O)(=O)C6=CC=C(C=C6)C |
| InChIKey | SIDGTKBQKJVXPM-UHFFFAOYSA-N |
Product Overview
[4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran (CAS 5456-74-6), with molecular formula C39H36O10S2 and molecular weight 728.17 g/mol. IUPAC: [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyrano[2,3-h]chromen-3-yl]-2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran
Property Insights of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran
The XLogP value of 9.2 indicates that [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran has 1 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 [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran?
The CAS number of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran is 5456-74-6.
What is the molecular formula of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran?
The molecular formula of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran is C39H36O10S2.
What is the molecular weight of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran?
The molecular weight of [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran is 728.17 g/mol.
Where can I buy [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran?
You can request a quote for [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran?
Yes, KEHONG BIO provides custom synthesis services for [4-[5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.