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CAS 54614-95-8 N-BOC-4-AMINO-2-BUTANONE molecular structure lightbox
CAS RN: 54614-95-8

N-BOC-4-AMINO-2-BUTANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-162355
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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 54614-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

54614-95-8 / tert-butyl N-(3-oxobutyl)carbamate

Standard CAS: 54614-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54614-95-8
Multi CAS
No
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
InChI
InChI=1S/C9H17NO3/c1-7(11)5-6-10-8(12)13-9(2,3)4/h5-6H2,1-4H3,(H,10,12)
InChIKey
KMENCUFZHDXKNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.53
TPSA
55.4

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
0.6
Consensus LogP
1.13
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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