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Chlorazanil structure
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Chlorazanil

TL;DR: Chlorazanil (CAS 500-42-5) is a chemical compound with molecular formula C9H8ClN5 and molecular weight 221.04683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

Also Known As: Chlorazanil, Chloroazinal, Diurazine, Triazurol, Chlorazinil

CAS Number
500-42-5
Molecular Formula
C9H8ClN5
Molecular Weight
221.04683 g/mol
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Application Areas

Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (4 patents) Analytical Reagents (2 patents) Biotechnology (18 patents) Heterocyclic Building Blocks (46 patents) Organic Building Blocks (4 patents)

Technical Specifications

Molecular FormulaC9H8ClN5
Molecular Weight221.04683 g/mol
XLogP2.1
Topological Polar Surface Area (TPSA)76.7 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds2
Exact Mass221.04683 Da
Heavy Atoms15
Complexity195.0
SMILESC1=CC(=CC=C1NC2=NC=NC(=N2)N)Cl
InChIKeyYRZQHIVOIFJEEE-UHFFFAOYSA-N

Product Description

Applications: Chlorazanil is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A pharmaceutical intermediate supplied by CoreyChem, Chlorazanil (CAS 500-42-5) has the molecular formula C9H8ClN5 and a molecular weight of 221.05 g/mol. Synonyms include Chlorazanil and Chloroazinal.

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 Chlorazanil

XLogP
2.1
TPSA (Topological Polar Surface Area)
76.7
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
15
Complexity
195.0
Exact Mass
221.04683
Monoisotopic Mass
221.04683
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 Chlorazanil

The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorazanil. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorazanil. Following Lipinski's Rule of Five, Chlorazanil 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 Chlorazanil?

The CAS number of Chlorazanil is 500-42-5.

What is the molecular formula of Chlorazanil?

The molecular formula of Chlorazanil is C9H8ClN5.

What is the molecular weight of Chlorazanil?

The molecular weight of Chlorazanil is 221.04683 g/mol.

What are the applications of Chlorazanil?

Chlorazanil is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...

Where can I buy Chlorazanil?

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

Does CoreyChem offer custom synthesis for Chlorazanil?

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

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