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CAS 166410-05-5 BOC-4-OXO-L-PROLINE TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 166410-05-5

BOC-4-OXO-L-PROLINE TERT-BUTYL ESTER

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250825 1g In stock Shanghai Inquiry
Batchno.20260529 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20260119 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250207 500g Out of stock Inquiry
Batchno.20250124 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-072650
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 166410-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

166410-05-5 / ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

Standard CAS: 166410-05-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
166410-05-5
Multi CAS
No
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
SMILES
CC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h10H,7-8H2,1-6H3/t10-/m0/s1
InChIKey
MPNWQUWKRDADHK-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
72.2
TPSA
72.91

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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