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CAS 114873-01-7 N-(tert-Butoxycarbonyl)-3-fluoro-L-phenylalanine molecular structure lightbox
CAS RN: 114873-01-7

N-(tert-Butoxycarbonyl)-3-fluoro-L-phenylalanine

Product Availability

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10 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 1g In stock Inquiry
Batchno.20260514 250mg In stock Inquiry
Batchno.20251110 25g Out of stock Inquiry
Batchno.20250408 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 100g In stock Tianjin, Chengdu Inquiry
Batchno.20250219 10g Out of stock Inquiry
Batchno.20250612 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250319 250mg In stock Shenzhen Inquiry
Batchno.20260317 25g In stock Chengdu Inquiry
Batchno.20250104 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-014586
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114873-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

114873-01-7 / (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

N-((1,1-Dimethylethoxy)carbonyl)-3-fluoro-L-phenylalanine | RefChem:1090645 | Boc-Phe(3-F)-OH

Standard CAS: 114873-01-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114873-01-7
Multi CAS
Yes
Molecular Formula
C14H18FNO4
Molecular Weight
283.290000
Exact Mass
283.121986
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)O
InChI
InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey
FPCCREICRYPTTL-NSHDSACASA-N
Synonyms
N-((1,1-Dimethylethoxy)carbonyl)-3-fluoro-L-phenylalanine RefChem:1090645 Boc-Phe(3-F)-OH Boc-3-fluoro-L-phenylalanine Boc-L-3-Fluorophenylalanine

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.9
TPSA
75.63

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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