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CAS 5123-49-9 H-L-Orn(Tfa)-OH molecular structure lightbox
CAS RN: 5123-49-9

H-L-Orn(Tfa)-OH

  • Product code: SSC-158067
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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: 5g
  • 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 5123-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

5123-49-9 / 2-amino-5-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

Standard CAS: 5123-49-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5123-49-9
Multi CAS
Yes
Molecular Formula
C7F3H11N2O3
Molecular Weight
228.170000
Exact Mass
228.072177
InChI
InChI=1S/C7H11F3N2O3/c8-7(9,10)6(15)12-3-1-2-4(11)5(13)14/h4H,1-3,11H2,(H,12,15)(H,13,14)/t4-/m0/s1
InChIKey
BEEAVYYIFAMIIT-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.91
TPSA
92.42

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-2.6
Consensus LogP
-0.95
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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