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CAS 4587-33-1 Nα-(tert-Butoxycarbonyl)-L-asparagine 4-Nitrophenyl Ester molecular structure lightbox
CAS RN: 4587-33-1

Nα-(tert-Butoxycarbonyl)-L-asparagine 4-Nitrophenyl Ester

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 1g In stock Inquiry
Batchno.20250830 25g Out of stock Inquiry
Batchno.20250910 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-153483
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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: 5g
  • 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 4587-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

4587-33-1 / (4-nitrophenyl) (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Standard CAS: 4587-33-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4587-33-1
Multi CAS
Yes
Molecular Formula
C15H19N3O7
Molecular Weight
353.330000
Exact Mass
353.122300
InChI
InChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m1/s1
InChIKey
IAPXDJMULQXGDD-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
85.7
TPSA
150.86

LogP / Solubility

WLOGP
1.27
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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