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3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide structure
Fine Chemical

3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

TL;DR: 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide (CAS 425682-95-7) is a chemical compound with molecular formula C20H13BrN4O2S and molecular weight 451.99426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

Also Known As: 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide, 3-bromo-N-{[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}benzamide, 1-(3-BROMOBENZOYL)-3-(3-{[1,3]OXAZOLO[4,5-B]PYRIDIN-2-YL}PHENYL)THIOUREA

CAS Number
425682-95-7
Molecular Formula
C20H13BrN4O2S
Molecular Weight
451.99426 g/mol
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Technical Specifications

Molecular FormulaC20H13BrN4O2S
Molecular Weight451.99426 g/mol
XLogP5.0
Topological Polar Surface Area (TPSA)112.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds3
Exact Mass451.99426 Da
Heavy Atoms28
Complexity580.0
SMILESC1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C3=NC4=C(O3)C=CC=N4
InChIKeyDYKOEPLBDWJLOI-UHFFFAOYSA-N

Product Description

Applications: 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide (CAS 425682-95-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

A fine chemical supplied by CoreyChem, 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide (CAS 425682-95-7) has the molecular formula C20H13BrN4O2S and a molecular weight of 451.99 g/mol. It is also known as SR-01000472289-1 and 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

XLogP
5.0
TPSA (Topological Polar Surface Area)
112.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
28
Complexity
580.0
Exact Mass
451.99426
Monoisotopic Mass
451.99426
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 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide

The XLogP value of 5.0 indicates that 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide 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 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide?

The CAS number of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide is 425682-95-7.

What is the molecular formula of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide?

The molecular formula of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide is C20H13BrN4O2S.

What is the molecular weight of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide?

The molecular weight of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide is 451.99426 g/mol.

What are the applications of 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide?

3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...

Where can I buy 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide?

You can request a quote for 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide?

Yes, CoreyChem provides custom synthesis services for 3-bromo-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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