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CAS 256488-01-4 1,2-Pyrrolidinedicarboxylic acid, 4-Methylene-, 1-(1,1-diMethylethyl) 2-Methyl ester, (2R)- molecular structure lightbox
CAS RN: 256488-01-4

1,2-Pyrrolidinedicarboxylic acid, 4-Methylene-, 1-(1,1-diMethylethyl) 2-Methyl ester, (2R)-

  • Product code: SSC-121855
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 256488-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

256488-01-4 / 1-O-tert-butyl 2-O-methyl (2R)-4-methylidenepyrrolidine-1,2-dicarboxylate

Standard CAS: 256488-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
256488-01-4
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1CC(=C)C[C@@H]1C(=O)OC
InChI
InChI=1S/C12H19NO4/c1-8-6-9(10(14)16-5)13(7-8)11(15)17-12(2,3)4/h9H,1,6-7H2,2-5H3/t9-/m1/s1
InChIKey
CEEDNDKFZGTXOZ-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.5
TPSA
55.84

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.97

Drug-likeness / Medicinal Chemistry

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

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