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Goniothalamicin structure
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Goniothalamicin

TL;DR: Goniothalamicin (CAS 1401812-26-7) is a chemical compound with molecular formula C35H64O7 and molecular weight 596.4652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-methyl-4-[2,8,11-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one

Also Known As: Goniothalamicin, cis-Goniothalamicin, 2-Bromodibenzothiophene, NCI60_005295, 2-methyl-4-[2,8,11-trihydroxy-11-[5-(1-hydroxypentadecyl)oxolan-2-yl]undecyl]-2H-furan-5-one

CAS Number
1401812-26-7
Molecular Formula
C35H64O7
Molecular Weight
596.4652 g/mol
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Technical Specifications

Molecular FormulaC35H64O7
Molecular Weight596.4652 g/mol
XLogP8.8
Topological Polar Surface Area (TPSA)116.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors7
Rotatable Bonds26
Exact Mass596.4652 Da
Heavy Atoms42
Complexity726.0
SMILESCCCCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
InChIKeyNBVJDUCRUAUMAA-UHFFFAOYSA-N

Chemical Property Profile of Goniothalamicin

XLogP
8.8
TPSA (Topological Polar Surface Area)
116.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
Rotatable Bonds
26
Heavy Atoms
42
Complexity
726.0
Exact Mass
596.4652
Monoisotopic Mass
596.4652
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 Goniothalamicin

The XLogP value of 8.8 indicates that Goniothalamicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Goniothalamicin. Following Lipinski's Rule of Five, Goniothalamicin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Goniothalamicin?

The CAS number of Goniothalamicin is 1401812-26-7.

What is the molecular formula of Goniothalamicin?

The molecular formula of Goniothalamicin is C35H64O7.

What is the molecular weight of Goniothalamicin?

The molecular weight of Goniothalamicin is 596.4652 g/mol.

Where can I buy Goniothalamicin?

You can request a quote for Goniothalamicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Goniothalamicin?

Yes, CoreyChem provides custom synthesis services for Goniothalamicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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