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(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid structure
Fine Chemical

(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid

TL;DR: (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid (CAS 1228559-39-4) is a chemical compound with molecular formula C14H17F2NO4 and molecular weight 301.11258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(3R)-3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Also Known As: (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid, (r)-3-((Tert-butoxycarbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid, Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluoro-, (betaR)-, (3R)-3-[(tert-Butoxycarbonyl)amino]-3-(2,4-difluorophenyl)propanoic acid, (I(2)R)-I(2)-[[(1,1-Dimethylethoxy)carbonyl]amino]-2,4-difluorobenzenepropanoic acid

CAS Number
1228559-39-4
Molecular Formula
C14H17F2NO4
Molecular Weight
301.11258 g/mol
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Technical Specifications

Molecular FormulaC14H17F2NO4
Molecular Weight301.11258 g/mol
XLogP2.2
Topological Polar Surface Area (TPSA)75.6 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass301.11258 Da
Heavy Atoms21
Complexity384.0
SMILESCC(C)(C)OC(=O)N[C@H](CC(=O)O)C1=C(C=C(C=C1)F)F
InChIKeyGCMABDJIXXRLPM-LLVKDONJSA-N

Chemical Property Profile of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid

XLogP
2.2
TPSA (Topological Polar Surface Area)
75.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
21
Complexity
384.0
Exact Mass
301.11258
Monoisotopic Mass
301.11258
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 (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid

The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid. Following Lipinski's Rule of Five, (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid?

The CAS number of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid is 1228559-39-4.

What is the molecular formula of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid?

The molecular formula of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid is C14H17F2NO4.

What is the molecular weight of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid?

The molecular weight of (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid is 301.11258 g/mol.

Where can I buy (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid?

You can request a quote for (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid?

Yes, CoreyChem provides custom synthesis services for (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-difluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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