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NK 252 structure
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NK 252

TL;DR: NK 252 (CAS 1414963-82-8) is a chemical compound with molecular formula C29H33N3O6 and molecular weight 519.23694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

bis[(5-ethyl-2-pyridinyl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Also Known As: NK 252, NCI60_017508, SID:522924660, bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

CAS Number
1414963-82-8
Molecular Formula
C29H33N3O6
Molecular Weight
519.23694 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (4 patents) Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC29H33N3O6
Molecular Weight519.23694 g/mol
XLogP3.4
Topological Polar Surface Area (TPSA)109.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds11
Exact Mass519.23694 Da
Heavy Atoms38
Complexity896.0
SMILESCCC1=CN=C(C=C1)COC(=O)C2=C(NC(=C(C2C3=COCCO3)C(=O)OCC4=NC=C(C=C4)CC)C)C
InChIKeyYWKFGWNTDPFJIZ-UHFFFAOYSA-N

Chemical Property Profile of NK 252

XLogP
3.4
TPSA (Topological Polar Surface Area)
109.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
11
Heavy Atoms
38
Complexity
896.0
Exact Mass
519.23694
Monoisotopic Mass
519.23694
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 NK 252

The XLogP value of 3.4 indicates that NK 252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NK 252. Following Lipinski's Rule of Five, NK 252 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of NK 252?

The CAS number of NK 252 is 1414963-82-8.

What is the molecular formula of NK 252?

The molecular formula of NK 252 is C29H33N3O6.

What is the molecular weight of NK 252?

The molecular weight of NK 252 is 519.23694 g/mol.

Where can I buy NK 252?

You can request a quote for NK 252 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for NK 252?

Yes, CoreyChem provides custom synthesis services for NK 252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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