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Nicarbazin structure
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Nicarbazin

TL;DR: Nicarbazin (CAS 330-95-0) is a chemical compound with molecular formula C19H18N6O6 and molecular weight 426.12878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one

Also Known As: Nicarbazin, Nicarbazine, Nirazin, Nicrazine, Nicrazin

CAS Number
330-95-0
Molecular Formula
C19H18N6O6
Molecular Weight
426.12878 g/mol
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Application Areas

Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (10 patents) Analytical Reagents (8 patents) Biotechnology (52 patents) Coatings & Adhesives (19 patents) Food Additives (84 patents)

Technical Specifications

Molecular FormulaC19H18N6O6
Molecular Weight426.12878 g/mol
XLogP3.53
Topological Polar Surface Area (TPSA)174.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors6
Rotatable Bonds2
Exact Mass426.12878 Da
Heavy Atoms31
Complexity582.0
Melting Pointdecomposes 265-275 °C
Density0.5 g/ml
SolubilityPractically insoluble in water. Complex is slowly decomposed by trituration with water, or more rapidly by dilute aqueous acids.
SMILESCC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChIKeyUKHWDRMMMYWSFL-UHFFFAOYSA-N

Product Description

Applications: Nicarbazin is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Nicarbazin (CAS 330-95-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Nicarbazin is a pharmaceutical intermediate identified by CAS number 330-95-0 and the molecular formula C19H18N6O6 and a molecular weight of 426.13 g/mol. Physically, the compound has a density of 0.5 g/ml g/cm³, a solubility: Practically insoluble in water. Complex is slowly decomposed by trituration with water, or more rapidly by dilute aqueous acids. It is also known as Nicarbazin and Nicarbazine.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Nicarbazin

XLogP
3.53
TPSA (Topological Polar Surface Area)
174.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
Rotatable Bonds
2
Heavy Atoms
31
Complexity
582.0
Exact Mass
426.12878
Monoisotopic Mass
426.12878
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 Nicarbazin

The XLogP value of 3.53 indicates that Nicarbazin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting Nicarbazin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicarbazin has 3 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 Nicarbazin?

The CAS number of Nicarbazin is 330-95-0.

What is the molecular formula of Nicarbazin?

The molecular formula of Nicarbazin is C19H18N6O6.

What is the molecular weight of Nicarbazin?

The molecular weight of Nicarbazin is 426.12878 g/mol.

What are the applications of Nicarbazin?

Nicarbazin is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Nicarbazin (CAS 330-95-0) with custom synthesis available from milligram to...

Where can I buy Nicarbazin?

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

Does CoreyChem offer custom synthesis for Nicarbazin?

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

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