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2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid structure
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2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid

TL;DR: 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid (CAS 105816-04-4) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid

Also Known As: nateglinide, ent-Nateglinide, Fastic, Nateglinide D5, Nateglinide [INN]

CAS Number
105816-04-4
Molecular Formula
C19H27NO3
Molecular Weight
317.1991 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 (1 patents) Organic Building Blocks (3 patents) Pharmaceutical Intermediates (4 patents)

Technical Specifications

Molecular FormulaC19H27NO3
Molecular Weight317.1991 g/mol
XLogP3.2
Topological Polar Surface Area (TPSA)66.4 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds6
Exact Mass317.1991 Da
Heavy Atoms23
Complexity393.0
SMILESCC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O
InChIKeyOELFLUMRDSZNSF-UHFFFAOYSA-N

Chemical Property Profile of 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid

XLogP
3.2
TPSA (Topological Polar Surface Area)
66.4
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
23
Complexity
393.0
Exact Mass
317.1991
Monoisotopic Mass
317.1991
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-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid

The XLogP value of 3.2 indicates that 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid 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 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid?

The CAS number of 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid is 105816-04-4.

What is the molecular formula of 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid?

The molecular formula of 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid is C19H27NO3.

What is the molecular weight of 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid?

The molecular weight of 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid is 317.1991 g/mol.

Where can I buy 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid?

You can request a quote for 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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