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Pinolidoxin structure
Fine Chemical

Pinolidoxin

TL;DR: Pinolidoxin (CAS 152985-39-2) is a chemical compound with molecular formula C18H26O6 and molecular weight 338.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[(5E)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate

Also Known As: Pinolidoxin, Lethaloxin, Pinolidioxin, Compound NP-009314, J3.139.535F

CAS Number
152985-39-2
Molecular Formula
C18H26O6
Molecular Weight
338.17294 g/mol
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Technical Specifications

Molecular FormulaC18H26O6
Molecular Weight338.17294 g/mol
XLogP2.6
Topological Polar Surface Area (TPSA)93.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass338.17294 Da
Heavy Atoms24
Complexity494.0
SMILESCCCC1C(C(/C=C/CCC(C(=O)O1)OC(=O)/C=C/C=C/C)O)O
InChIKeyTXPRZPDVUZCNLB-YECGNMMBSA-N

Chemical Property Profile of Pinolidoxin

XLogP
2.6
TPSA (Topological Polar Surface Area)
93.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
24
Complexity
494.0
Exact Mass
338.17294
Monoisotopic Mass
338.17294
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 Pinolidoxin

The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinolidoxin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinolidoxin. Following Lipinski's Rule of Five, Pinolidoxin has 2 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 Pinolidoxin?

The CAS number of Pinolidoxin is 152985-39-2.

What is the molecular formula of Pinolidoxin?

The molecular formula of Pinolidoxin is C18H26O6.

What is the molecular weight of Pinolidoxin?

The molecular weight of Pinolidoxin is 338.17294 g/mol.

Where can I buy Pinolidoxin?

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

Does CoreyChem offer custom synthesis for Pinolidoxin?

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

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