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4-hydroxybenzo<j>fluoranthene structure
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Fine Chemical

4-hydroxybenzofluoranthene

TL;DR: 4-hydroxybenzofluoranthene (CAS 106521-55-5) is a chemical compound with molecular formula C23H23BrN4O2S and molecular weight 498.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[4-[(3-bromo-5-methylacridin-9-yl)amino]-3-(dimethylamino)phenyl]methanesulfonamide

Also Known As: 4-hydroxybenzofluoranthene, Methanesulfonamide, N-(4-((3-bromo-5-methyl-9-acridinyl)amino)-3-(dimethylamino)phenyl)-, N-(4-((3-Bromo-5-methyl-9-acridinyl)amino)-3-(dimethylamino)phenyl)methanesulfonamide, Methanesulfonamide,N-[4-[(3-bromo-5-methyl-9-acridinyl)amino]-3-(dimethylamino)phenyl]-, N-[4-[(3-bromo-5-methylacridin-9-yl)amino]-3-(dimethylamino)phenyl]methanesulfonamide

CAS Number
106521-55-5
Molecular Formula
C23H23BrN4O2S
Molecular Weight
498.0725 g/mol
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Technical Specifications

Molecular FormulaC23H23BrN4O2S
Molecular Weight498.0725 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)82.7 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds5
Exact Mass498.0725 Da
Heavy Atoms31
Complexity715.0
SMILESCC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)Br)NC4=C(C=C(C=C4)NS(=O)(=O)C)N(C)C
InChIKeyANPVMKNHBQXBGN-UHFFFAOYSA-N

Chemical Property Profile of 4-hydroxybenzofluoranthene

XLogP
5.2
TPSA (Topological Polar Surface Area)
82.7
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
31
Complexity
715.0
Exact Mass
498.0725
Monoisotopic Mass
498.0725
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-hydroxybenzofluoranthene

The XLogP value of 5.2 indicates that 4-hydroxybenzofluoranthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxybenzofluoranthene. Following Lipinski's Rule of Five, 4-hydroxybenzofluoranthene has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 4-hydroxybenzofluoranthene?

The CAS number of 4-hydroxybenzofluoranthene is 106521-55-5.

What is the molecular formula of 4-hydroxybenzofluoranthene?

The molecular formula of 4-hydroxybenzofluoranthene is C23H23BrN4O2S.

What is the molecular weight of 4-hydroxybenzofluoranthene?

The molecular weight of 4-hydroxybenzofluoranthene is 498.0725 g/mol.

Where can I buy 4-hydroxybenzofluoranthene?

You can request a quote for 4-hydroxybenzofluoranthene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-hydroxybenzofluoranthene?

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

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