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4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one structure
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4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one

TL;DR: 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one (CAS 160858-31-1) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-(3-hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one

Also Known As: HOO-MBM-furocoumarin, 4-(3-hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one, 4-(3-Hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one, 7H-Furo[3,2-g][1]benzopyran-7-one,4-(3-hydroperoxy-3-methyl-1-buten-1-yl)-9-methoxy-

CAS Number
160858-31-1
Molecular Formula
C17H16O6
Molecular Weight
316.0947 g/mol
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Technical Specifications

Molecular FormulaC17H16O6
Molecular Weight316.0947 g/mol
XLogP2.7
Topological Polar Surface Area (TPSA)78.1 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass316.0947 Da
Heavy Atoms23
Complexity511.0
SMILESCC(C)(C=CC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)OO
InChIKeyJUFMJFCBUMNBJS-UHFFFAOYSA-N

Chemical Property Profile of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one

XLogP
2.7
TPSA (Topological Polar Surface Area)
78.1
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
23
Complexity
511.0
Exact Mass
316.0947
Monoisotopic Mass
316.0947
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one

The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one. Following Lipinski's Rule of Five, 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one?

The CAS number of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one is 160858-31-1.

What is the molecular formula of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one?

The molecular formula of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one is C17H16O6.

What is the molecular weight of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one?

The molecular weight of 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one is 316.0947 g/mol.

Where can I buy 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one?

You can request a quote for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one?

Yes, CoreyChem provides custom synthesis services for 4-(3-Hydroperoxy-3-methylbut-1-enyl)-9-methoxyfuro[3,2-g]chromen-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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