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CAS 28782-78-7 BOC-ALA-GLY-OH molecular structure lightbox
CAS RN: 28782-78-7

BOC-ALA-GLY-OH

  • Product code: SSC-130476
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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: 25g
  • 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 28782-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

28782-78-7 / 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetic acid

Standard CAS: 28782-78-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28782-78-7
Multi CAS
Yes
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
InChI
InChI=1S/C10H18N2O5/c1-6(8(15)11-5-7(13)14)12-9(16)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChIKey
PBGVVLQMNSPMKN-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.48
TPSA
104.73

LogP / Solubility

WLOGP
0.1
MLOGP
0.09
XLogP3
0.3
Consensus LogP
0.16
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-4.15

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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