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CAS 78981-25-6 BOC-D-ALA-NH2 molecular structure lightbox
CAS RN: 78981-25-6

BOC-D-ALA-NH2

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-188190
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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: 100g
  • Available purity: ＞97%
  • 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 78981-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

78981-25-6 / tert-butyl N-(1-amino-1-oxopropan-2-yl)carbamate

Standard CAS: 78981-25-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78981-25-6
Multi CAS
Yes
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
InChI
InChI=1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKey
GZKKSKKIABUUCX-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.03
TPSA
81.42

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
-0.1
Consensus LogP
0.21
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

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