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4-[methyl(Nitroso)amino]benzene-1,2-Diol structure
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4-[methyl(Nitroso)amino]benzene-1,2-Diol

TL;DR: 4-[methyl(Nitroso)amino]benzene-1,2-Diol (CAS 173043-84-0) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(3,4-dihydroxyphenyl)-N-methylnitrous amide

Also Known As: 3,4-dephostatin, Me-3,4-dephostatin, Methyl-3,4-dephostatin, Lopac-M-9440, 3,4-Dihydroxy-N-methyl-N-nitrosoaniline

CAS Number
173043-84-0
Molecular Formula
C7H8N2O3
Molecular Weight
168.0535 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (6 patents) Organic Building Blocks (4 patents) Pharmaceutical Intermediates (3 patents)

Technical Specifications

Molecular FormulaC7H8N2O3
Molecular Weight168.0535 g/mol
XLogP1.0
Topological Polar Surface Area (TPSA)73.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds1
Exact Mass168.0535 Da
Heavy Atoms12
Complexity165.0
SMILESCN(C1=CC(=C(C=C1)O)O)N=O
InChIKeyXAKAQCMEMMZUEO-UHFFFAOYSA-N

Chemical Property Profile of 4-[methyl(Nitroso)amino]benzene-1,2-Diol

XLogP
1.0
TPSA (Topological Polar Surface Area)
73.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
1
Heavy Atoms
12
Complexity
165.0
Exact Mass
168.0535
Monoisotopic Mass
168.0535
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-[methyl(Nitroso)amino]benzene-1,2-Diol

The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[methyl(Nitroso)amino]benzene-1,2-Diol. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[methyl(Nitroso)amino]benzene-1,2-Diol. Following Lipinski's Rule of Five, 4-[methyl(Nitroso)amino]benzene-1,2-Diol has 2 hydrogen bond donor(s) and 5 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-[methyl(Nitroso)amino]benzene-1,2-Diol?

The CAS number of 4-[methyl(Nitroso)amino]benzene-1,2-Diol is 173043-84-0.

What is the molecular formula of 4-[methyl(Nitroso)amino]benzene-1,2-Diol?

The molecular formula of 4-[methyl(Nitroso)amino]benzene-1,2-Diol is C7H8N2O3.

What is the molecular weight of 4-[methyl(Nitroso)amino]benzene-1,2-Diol?

The molecular weight of 4-[methyl(Nitroso)amino]benzene-1,2-Diol is 168.0535 g/mol.

Where can I buy 4-[methyl(Nitroso)amino]benzene-1,2-Diol?

You can request a quote for 4-[methyl(Nitroso)amino]benzene-1,2-Diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-[methyl(Nitroso)amino]benzene-1,2-Diol?

Yes, CoreyChem provides custom synthesis services for 4-[methyl(Nitroso)amino]benzene-1,2-Diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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