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CAS 124842-28-0 (R)-Methyl 4-aMino-2-((tert-butoxycarbonyl)aMino)-4-oxobutanoate molecular structure lightbox
CAS RN: 124842-28-0

(R)-Methyl 4-aMino-2-((tert-butoxycarbonyl)aMino)-4-oxobutanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-029109
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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 124842-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

124842-28-0 / methyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Standard CAS: 124842-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124842-28-0
Multi CAS
No
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)OC
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-6(5-7(11)13)8(14)16-4/h6H,5H2,1-4H3,(H2,11,13)(H,12,15)/t6-/m0/s1
InChIKey
WBCWYEJCFYVRMG-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.99
TPSA
107.72

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.3
Consensus LogP
-0.14
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-4.27

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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