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CAS 1676-90-0 4-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate molecular structure lightbox
CAS RN: 1676-90-0

4-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-073110
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1676-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry
10g >95% 2 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry
500g >95% 0 Out of Stock Shenzhen Inquiry

1676-90-0 / (2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Standard CAS: 1676-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1676-90-0
Multi CAS
No
Molecular Formula
C13H23NO6
Molecular Weight
289.320000
Exact Mass
289.152537
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1
InChIKey
PHJDCONJXLIIPW-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.26
TPSA
101.93

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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