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CAS 175463-32-8 1-tert-Butoxycarbonyl-3-cyano-4-pyrrolidone molecular structure lightbox
CAS RN: 175463-32-8

1-tert-Butoxycarbonyl-3-cyano-4-pyrrolidone

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260630 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260127 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250622 1kg In stock Shanghai Inquiry
Batchno.20250618 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250910 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250516 500g In stock Shanghai Inquiry
Batchno.20260106 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-076995
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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: >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 175463-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

175463-32-8 / tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate

Standard CAS: 175463-32-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175463-32-8
Multi CAS
No
Molecular Formula
C10H14N2O3
Molecular Weight
210.230000
Exact Mass
210.100442
SMILES
CC(C)(C)OC(=O)N1CC(C(=O)C1)C#N
InChI
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7H,5-6H2,1-3H3
InChIKey
RKUQLKRPWWYRIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.92
TPSA
70.4

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.7
Consensus LogP
0.83
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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