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CAS 89711-08-0 N-Boc-2-aminoacetaldehyde molecular structure lightbox
CAS RN: 89711-08-0

N-Boc-2-aminoacetaldehyde

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260313 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250202 25g Out of stock 15 business days Inquiry
Batchno.20251213 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS89711-08-0
  • Purity/Analytical Methods: >99.0%
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89711-08-0 / tert-butyl N-(2-oxoethyl)carbamate

Standard CAS: 89711-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89711-08-0
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
InChI
InChI=1S/C7H13NO3/c1-7(2,3)11-6(10)8-4-5-9/h5H,4H2,1-3H3,(H,8,10)
InChIKey
ACNRTYKOPZDRCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.3
TPSA
55.4

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.5
Consensus LogP
0.61
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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