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Thr1 inhibitor, 1 structure
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Thr1 inhibitor, 1

TL;DR: Thr1 inhibitor, 1 (CAS 4452-06-6) is a chemical compound with molecular formula C13H10O and molecular weight 182.07317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-naphthalen-2-ylprop-2-en-1-one

Also Known As: ZM 449829, jak3 inhibitor v, 1-(naphthalen-2-yl)prop-2-en-1-one, 2-acryloylnaphthalene, Thr1 inhibitor, 1

CAS Number
4452-06-6
Molecular Formula
C13H10O
Molecular Weight
182.07317 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (6 patents) Organic Building Blocks (1 patents) Pharmaceutical Intermediates (1 patents)

Technical Specifications

Molecular FormulaC13H10O
Molecular Weight182.07317 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)17.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors1
Rotatable Bonds2
Exact Mass182.07317 Da
Heavy Atoms14
Complexity231.0
SMILESC=CC(=O)C1=CC2=CC=CC=C2C=C1
InChIKeyFOTCGZPFSUWZBN-UHFFFAOYSA-N

Product Description

Applications: Thr1 inhibitor, 1 is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Thr1 inhibitor, 1 is a heterocyclic building block identified by CAS number 4452-06-6 and the molecular formula C13H10O and a molecular weight of 182.07 g/mol. Synonyms include ZM 449829 and jak3 inhibitor v.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Thr1 inhibitor, 1

XLogP
3.8
TPSA (Topological Polar Surface Area)
17.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Rotatable Bonds
2
Heavy Atoms
14
Complexity
231.0
Exact Mass
182.07317
Monoisotopic Mass
182.07317
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 Thr1 inhibitor, 1

The XLogP value of 3.8 indicates that Thr1 inhibitor, 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Thr1 inhibitor, 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thr1 inhibitor, 1 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Thr1 inhibitor, 1?

The CAS number of Thr1 inhibitor, 1 is 4452-06-6.

What is the molecular formula of Thr1 inhibitor, 1?

The molecular formula of Thr1 inhibitor, 1 is C13H10O.

What is the molecular weight of Thr1 inhibitor, 1?

The molecular weight of Thr1 inhibitor, 1 is 182.07317 g/mol.

What are the applications of Thr1 inhibitor, 1?

Thr1 inhibitor, 1 is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...

Where can I buy Thr1 inhibitor, 1?

You can request a quote for Thr1 inhibitor, 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Thr1 inhibitor, 1?

Yes, CoreyChem provides custom synthesis services for Thr1 inhibitor, 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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