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Chlornidine structure
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Chlornidine

TL;DR: Chlornidine (CAS 26389-78-6) is a chemical compound with molecular formula C11H13Cl2N3O4 and molecular weight 321.02832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline

Also Known As: Torpedo, CHLORNIDINE, N,N-Bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline, AN 5647, AI3-62692

CAS Number
26389-78-6
Molecular Formula
C11H13Cl2N3O4
Molecular Weight
321.02832 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (77 patents) Heterocyclic Building Blocks (65 patents) Organic Building Blocks (42 patents) Organometallic Reagents (1 patents)

Technical Specifications

Molecular FormulaC11H13Cl2N3O4
Molecular Weight321.02832 g/mol
XLogP4.2
Topological Polar Surface Area (TPSA)94.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds5
Exact Mass321.02832 Da
Heavy Atoms20
Complexity318.0
SMILESCC1=CC(=C(C(=C1)[N+](=O)[O-])N(CCCl)CCCl)[N+](=O)[O-]
InChIKeyXKUWFOYPQIVFMM-UHFFFAOYSA-N

Chemical Property Profile of Chlornidine

XLogP
4.2
TPSA (Topological Polar Surface Area)
94.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
20
Complexity
318.0
Exact Mass
321.02832
Monoisotopic Mass
321.02832
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 Chlornidine

The XLogP value of 4.2 indicates that Chlornidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlornidine. Following Lipinski's Rule of Five, Chlornidine has 0 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 Chlornidine?

The CAS number of Chlornidine is 26389-78-6.

What is the molecular formula of Chlornidine?

The molecular formula of Chlornidine is C11H13Cl2N3O4.

What is the molecular weight of Chlornidine?

The molecular weight of Chlornidine is 321.02832 g/mol.

Where can I buy Chlornidine?

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

Does CoreyChem offer custom synthesis for Chlornidine?

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

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