propyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate

CAS: 95136-50-8

Molecular Formula	`C22H22N4O7`
Molecular Weight	454.4 g/mol
LogP	3.8
Topological Polar Surface Area	145.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	454.14883
Heavy Atoms	33
Complexity	818.0

Chemical Identifiers

CAS Number	95136-50-8
SMILES	`CCCOC(=O)C1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])O`
InChIKey	`AOOLJUYMLKYKFS-UHFFFAOYSA-N`

📖 Product Overview

propyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate (CAS: 95136-50-8) is a chemical compound with molecular formula C22H22N4O7 and molecular weight 454.4 g/mol. Its IUPAC systematic name is propyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate. LogP 3.8 Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 454.14883 Heavy Atoms 33 Complexity 818.0 InChI Key: AOOLJUYMLKYKFS-UHFFFAOYSA-N. SMILES: CCCOC(=O)C1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[N+](=O)[O-])O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for propyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-2-hydroxy-3-nitrobenzoate.

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