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Phenibut structure
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Phenibut

TL;DR: Phenibut (CAS 1078-21-3) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-amino-3-phenylbutanoic acid

Also Known As: Phenibut, 4-Amino-3-phenylbutanoic acid, Fenibut, PhGaba, Phenylgamma

CAS Number
1078-21-3
Molecular Formula
C10H13NO2
Molecular Weight
179.09464 g/mol
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Application Areas

Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (8 patents) Biotechnology (1 patents) Food Additives (1 patents) Heterocyclic Building Blocks (39 patents) Organic Building Blocks (25 patents)

Technical Specifications

Molecular FormulaC10H13NO2
Molecular Weight179.09464 g/mol
XLogP-1.6
Topological Polar Surface Area (TPSA)63.3 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds4
Exact Mass179.09464 Da
Heavy Atoms13
Complexity164.0
SMILESC1=CC=C(C=C1)C(CC(=O)O)CN
InChIKeyDAFOCGYVTAOKAJ-UHFFFAOYSA-N

Chemical Property Profile of Phenibut

XLogP
-1.6
TPSA (Topological Polar Surface Area)
63.3
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
4
Heavy Atoms
13
Complexity
164.0
Exact Mass
179.09464
Monoisotopic Mass
179.09464
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 Phenibut

The XLogP value of -1.6 indicates that Phenibut is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenibut. Following Lipinski's Rule of Five, Phenibut has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Phenibut?

The CAS number of Phenibut is 1078-21-3.

What is the molecular formula of Phenibut?

The molecular formula of Phenibut is C10H13NO2.

What is the molecular weight of Phenibut?

The molecular weight of Phenibut is 179.09464 g/mol.

Where can I buy Phenibut?

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

Does CoreyChem offer custom synthesis for Phenibut?

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

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