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CAS 98045-03-5 1-Methyl N-(tert-Butoxycarbonyl)-L-aspartate molecular structure lightbox
CAS RN: 98045-03-5

1-Methyl N-(tert-Butoxycarbonyl)-L-aspartate

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 100g Out of stock Inquiry
Batchno.20251004 10g Out of stock Inquiry
Batchno.20250121 1g In stock Inquiry
Batchno.20260210 25g In stock Inquiry
Batchno.20260202 500g Out of stock Inquiry
Batchno.20251026 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-212523
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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, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 98045-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

98045-03-5 / (3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Standard CAS: 98045-03-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98045-03-5
Multi CAS
Yes
Molecular Formula
C10H17NO6
Molecular Weight
247.240000
Exact Mass
247.105587
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(5-7(12)13)8(14)16-4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)/t6-/m0/s1
InChIKey
IWFIVTBTZUCTQH-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
57.43
TPSA
101.93

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
0.4
Consensus LogP
0.47
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.85

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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