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CAS 112883-39-3 4-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-aspartate molecular structure lightbox
CAS RN: 112883-39-3

4-tert-Butyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-aspartate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251126 100g In stock Inquiry
Batchno.20260109 1g In stock Inquiry
Batchno.20251014 25g In stock Inquiry
Batchno.20260201 500g Out of stock Inquiry
Batchno.20260416 5g In stock Inquiry
  • Product code: SSC-013139
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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, 100g, 25g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 112883-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
25g >98% 4 In Stock Shenzhen Inquiry
500g >98% 1 In Stock Hong Kong Inquiry
1000g >98% 0 Out of Stock Shanghai Inquiry

112883-39-3 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Fmoc-L-Asp(OtBu)-OH | DTXSID001315581 | RefChem:599545

Standard CAS: 112883-39-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112883-39-3
Multi CAS
Yes
Molecular Formula
C23H25NO6
Molecular Weight
411.400000
Exact Mass
411.168188
SMILES
CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m1/s1
InChIKey
FODJWPHPWBKDON-LJQANCHMSA-N
Synonyms
Fmoc-L-Asp(OtBu)-OH DTXSID001315581 RefChem:599545 DTXCID201745481 Fmoc-Asp(OtBu)-OH

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
110.09
TPSA
101.93

LogP / Solubility

WLOGP
3.71
MLOGP
3.29
XLogP3
3.5
Consensus LogP
3.5
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H410 (97.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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