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CAS 1363166-32-8 Methyl 1-sec-Butyl-5-oxopyrrolidine-3-carboxylate molecular structure lightbox
CAS RN: 1363166-32-8

Methyl 1-sec-Butyl-5-oxopyrrolidine-3-carboxylate

  • Product code: SSC-045237
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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: 5g, 1g, 25g, 0.1g, 0.25g, 10g
  • 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 1363166-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Beijing Inquiry
25g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

1363166-32-8 / methyl 1-butan-2-yl-5-oxopyrrolidine-3-carboxylate

Standard CAS: 1363166-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-32-8
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CCC(C)N1CC(CC1=O)C(=O)OC
InChI
InChI=1S/C10H17NO3/c1-4-7(2)11-6-8(5-9(11)12)10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKey
RSYBWNDNXZMBNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
51.59
TPSA
46.61

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.6
Consensus LogP
0.71
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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