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CAS 777051-62-4 Tert-Butyl (2R)-2-Amino-3-(1H-Imidazol-4-Yl)Propanoate(WX665007) molecular structure lightbox
CAS RN: 777051-62-4

Tert-Butyl (2R)-2-Amino-3-(1H-Imidazol-4-Yl)Propanoate(WX665007)

  • Product code: SSC-187228
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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 777051-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

777051-62-4 / tert-butyl 2-amino-3-(1H-imidazol-5-yl)propanoate

Standard CAS: 777051-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
777051-62-4
Multi CAS
Yes
Molecular Formula
C10H17N3O2
Molecular Weight
211.260000
Exact Mass
211.132077
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)8(11)4-7-5-12-6-13-7/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKey
XQFREXXPLPDFGA-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.11
TPSA
81

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.57

Drug-likeness / Medicinal Chemistry

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

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