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CAS 7303-54-0 Nα-acetyl-5-fluoro-D,L-tryptophan molecular structure lightbox
CAS RN: 7303-54-0

Nα-acetyl-5-fluoro-D,L-tryptophan

  • Product code: SSC-182477
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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: 1g
  • Available purity: ≥95%
  • 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 7303-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7303-54-0 / 2-acetamido-3-(5-fluoro-1H-indol-3-yl)propanoic acid

Standard CAS: 7303-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7303-54-0
Multi CAS
No
Molecular Formula
C13FH13N2O3
Molecular Weight
264.250000
Exact Mass
264.091020
InChI
InChI=1S/C13H13FN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-3-2-9(14)5-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)
InChIKey
KRMRBEXBEPMAQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
67.2
TPSA
82.19

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.8
Consensus LogP
1.5
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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