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CAS 1539946-20-7 tert-butyl 2-methyl-3-oxopyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1539946-20-7

tert-butyl 2-methyl-3-oxopyrrolidine-1-carboxylate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250608 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251221 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251110 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260629 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-063356
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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, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • 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 1539946-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1539946-20-7 / tert-butyl 2-methyl-3-oxopyrrolidine-1-carboxylate

Standard CAS: 1539946-20-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1539946-20-7
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC1C(=O)CCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO3/c1-7-8(12)5-6-11(7)9(13)14-10(2,3)4/h7H,5-6H2,1-4H3
InChIKey
FQBIJMMPYGOFFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.03
TPSA
46.61

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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