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RefChem:565942 structure
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RefChem:565942

TL;DR: RefChem:565942 (CAS 16926-70-8) is a chemical compound with molecular formula C19H18N4O3 and molecular weight 350.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate

Also Known As: Benzoic acid, ethyl ester, ethyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate, AE-641/00557059, Benzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, ethyl ester, p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid ethyl ester

CAS Number
16926-70-8
Molecular Formula
C19H18N4O3
Molecular Weight
350.13788 g/mol
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Technical Specifications

Molecular FormulaC19H18N4O3
Molecular Weight350.13788 g/mol
XLogP3.5
Topological Polar Surface Area (TPSA)83.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass350.13788 Da
Heavy Atoms26
Complexity575.0
SMILESCCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C
InChIKeyJBMWOJWZSMCBJJ-UHFFFAOYSA-N

Chemical Property Profile of RefChem:565942

XLogP
3.5
TPSA (Topological Polar Surface Area)
83.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
26
Complexity
575.0
Exact Mass
350.13788
Monoisotopic Mass
350.13788
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 RefChem:565942

The XLogP value of 3.5 indicates that RefChem:565942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565942. Following Lipinski's Rule of Five, RefChem:565942 has 0 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 RefChem:565942?

The CAS number of RefChem:565942 is 16926-70-8.

What is the molecular formula of RefChem:565942?

The molecular formula of RefChem:565942 is C19H18N4O3.

What is the molecular weight of RefChem:565942?

The molecular weight of RefChem:565942 is 350.13788 g/mol.

Where can I buy RefChem:565942?

You can request a quote for RefChem:565942 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:565942?

Yes, CoreyChem provides custom synthesis services for RefChem:565942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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