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4,5,9-Trichloro-4,5-dihydropyrene structure
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4,5,9-Trichloro-4,5-dihydropyrene

TL;DR: 4,5,9-Trichloro-4,5-dihydropyrene (CAS 104514-01-4) is a chemical compound with molecular formula C16H9Cl3 and molecular weight 305.977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4,5,9-trichloro-4,5-dihydropyrene

Also Known As: Permabond 910, 4,5,9-Trichloro-4,5-dihydropyrene, 4,5-Dihydro-4,5,9-trichloropyrene, Pyrene, 4,5-dihydro-4,5,9-trichloro-

CAS Number
104514-01-4
Molecular Formula
C16H9Cl3
Molecular Weight
305.977 g/mol
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Technical Specifications

Molecular FormulaC16H9Cl3
Molecular Weight305.977 g/mol
XLogP5.7
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds0
Exact Mass305.977 Da
Heavy Atoms19
Complexity358.0
SMILESC1=CC2=CC(=C3C=CC=C4C3=C2C(=C1)C(C4Cl)Cl)Cl
InChIKeyBJSVAQXTFODSLQ-UHFFFAOYSA-N

Chemical Property Profile of 4,5,9-Trichloro-4,5-dihydropyrene

XLogP
5.7
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
0
Heavy Atoms
19
Complexity
358.0
Exact Mass
305.977
Monoisotopic Mass
305.977
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 4,5,9-Trichloro-4,5-dihydropyrene

The XLogP value of 5.7 indicates that 4,5,9-Trichloro-4,5-dihydropyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,9-Trichloro-4,5-dihydropyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,9-Trichloro-4,5-dihydropyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 4,5,9-Trichloro-4,5-dihydropyrene?

The CAS number of 4,5,9-Trichloro-4,5-dihydropyrene is 104514-01-4.

What is the molecular formula of 4,5,9-Trichloro-4,5-dihydropyrene?

The molecular formula of 4,5,9-Trichloro-4,5-dihydropyrene is C16H9Cl3.

What is the molecular weight of 4,5,9-Trichloro-4,5-dihydropyrene?

The molecular weight of 4,5,9-Trichloro-4,5-dihydropyrene is 305.977 g/mol.

Where can I buy 4,5,9-Trichloro-4,5-dihydropyrene?

You can request a quote for 4,5,9-Trichloro-4,5-dihydropyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4,5,9-Trichloro-4,5-dihydropyrene?

Yes, CoreyChem provides custom synthesis services for 4,5,9-Trichloro-4,5-dihydropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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