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CAS 198474-90-7 N-(tert-Butoxycarbonyl)-3,4-difluoro-L-phenylalanine molecular structure lightbox
CAS RN: 198474-90-7

N-(tert-Butoxycarbonyl)-3,4-difluoro-L-phenylalanine

Product Availability

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 1g In stock Inquiry
Batchno.20260309 250mg In stock Inquiry
Batchno.20260508 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 100g In stock Shanghai Inquiry
Batchno.20251013 1g In stock Shanghai Inquiry
Batchno.20250806 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260124 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260320 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-093510
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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: 10g
  • Available purity: ＞97%
  • 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 198474-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

198474-90-7 / (2S)-3-(3,4-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 198474-90-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
198474-90-7
Multi CAS
No
Molecular Formula
C14H17F2NO4
Molecular Weight
301.290000
Exact Mass
301.112564
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)O
InChI
InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKey
CYAOPVHXASZUDE-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.86
TPSA
75.63

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.79

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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