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CAS 114873-07-3 N-(tert-Butoxycarbonyl)-4-trifluoromethyl-L-phenylalanine molecular structure lightbox
CAS RN: 114873-07-3

N-(tert-Butoxycarbonyl)-4-trifluoromethyl-L-phenylalanine

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 1g In stock Inquiry
Batchno.20260409 250mg In stock Inquiry
Batchno.20250714 25g Out of stock Inquiry
Batchno.20260531 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014592
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114873-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Beijing Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

114873-07-3 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid

N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine | N-((1,1-Dimethylethoxy)carbonyl)-4-(trifluoromethyl)-D-phenylalanine | RefChem:359493

Standard CAS: 114873-07-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114873-07-3
Multi CAS
Yes
Molecular Formula
C15H18F3NO4
Molecular Weight
333.300000
Exact Mass
333.118793
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKey
SMVCCWNHCHCWAZ-NSHDSACASA-N
Synonyms
N-[(1,1-dimethylethoxy)carbonyl]-4-(trifluoromethyl)-D-phenylalanine N-((1,1-Dimethylethoxy)carbonyl)-4-(trifluoromethyl)-D-phenylalanine RefChem:359493 Boc-4-(trifluoromethyl)-D-phenylalanine (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.94
TPSA
75.63

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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