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2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid structure
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2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

TL;DR: 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid (CAS 144494-65-5) is a chemical compound with molecular formula C22H36N2O5S and molecular weight 440.2345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Also Known As: tirofiban, R-Tirofiban, (R)-Tirofiban, 2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid, I06-0016

CAS Number
144494-65-5
Molecular Formula
C22H36N2O5S
Molecular Weight
440.2345 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (3 patents) Biotechnology (2 patents) Heterocyclic Building Blocks (4 patents) Organic Building Blocks (9 patents) Peptides & Amino Acids (2 patents)

Technical Specifications

Molecular FormulaC22H36N2O5S
Molecular Weight440.2345 g/mol
XLogP1.4
Topological Polar Surface Area (TPSA)113.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors7
Rotatable Bonds14
Exact Mass440.2345 Da
Heavy Atoms30
Complexity579.0
SMILESCCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O
InChIKeyCOKMIXFXJJXBQG-UHFFFAOYSA-N

Product Description

Applications: 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is used in pharmaceutical synthesis routes and API production, 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).

2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid (CAS 144494-65-5) is a pharmaceutical intermediate with the molecular formula C22H36N2O5S and a molecular weight of 440.23 g/mol. Synonyms include tirofiban and R-Tirofiban.

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 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

XLogP
1.4
TPSA (Topological Polar Surface Area)
113.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
Rotatable Bonds
14
Heavy Atoms
30
Complexity
579.0
Exact Mass
440.2345
Monoisotopic Mass
440.2345
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 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid. Following Lipinski's Rule of Five, 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?

The CAS number of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is 144494-65-5.

What is the molecular formula of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?

The molecular formula of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is C22H36N2O5S.

What is the molecular weight of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?

The molecular weight of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is 440.2345 g/mol.

What are the applications of 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?

2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis....

Where can I buy 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?

You can request a quote for 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-(Butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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