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CAS 45159-34-0 BOC-BETA-CYANO-ALA-OH molecular structure lightbox
CAS RN: 45159-34-0

BOC-BETA-CYANO-ALA-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-152974
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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 45159-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

45159-34-0 / (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 45159-34-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45159-34-0
Multi CAS
Yes
Molecular Formula
C9H14N2O4
Molecular Weight
214.220000
Exact Mass
214.095357
InChI
InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKey
IVKMLPKBZQTAMQ-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.02
TPSA
99.42

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
0.2
Consensus LogP
0.62
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-3.4

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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