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Prochloraz metabolite structure
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Prochloraz metabolite

TL;DR: Prochloraz metabolite (CAS 139520-94-8) is a chemical compound with molecular formula C12H15Cl3N2O2 and molecular weight 324.0199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea

Also Known As: Prochloraz metabolite, BTS 44595, Prochloraz-desimidazole-amino, PRZ_M325, 1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea

CAS Number
139520-94-8
Molecular Formula
C12H15Cl3N2O2
Molecular Weight
324.0199 g/mol
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Technical Specifications

Molecular FormulaC12H15Cl3N2O2
Molecular Weight324.0199 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)55.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds6
Exact Mass324.0199 Da
Heavy Atoms19
Complexity282.0
SMILESCCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N
InChIKeyMPNJTIZLDHWBFX-UHFFFAOYSA-N

Chemical Property Profile of Prochloraz metabolite

XLogP
3.8
TPSA (Topological Polar Surface Area)
55.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
6
Heavy Atoms
19
Complexity
282.0
Exact Mass
324.0199
Monoisotopic Mass
324.0199
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 Prochloraz metabolite

The XLogP value of 3.8 indicates that Prochloraz metabolite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, Prochloraz metabolite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prochloraz metabolite has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Prochloraz metabolite?

The CAS number of Prochloraz metabolite is 139520-94-8.

What is the molecular formula of Prochloraz metabolite?

The molecular formula of Prochloraz metabolite is C12H15Cl3N2O2.

What is the molecular weight of Prochloraz metabolite?

The molecular weight of Prochloraz metabolite is 324.0199 g/mol.

Where can I buy Prochloraz metabolite?

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

Does CoreyChem offer custom synthesis for Prochloraz metabolite?

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

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