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CAS 205383-87-5 2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3′-PYRROLIDINE]-1′-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 205383-87-5

2-OXO-1,2-DIHYDRO-SPIRO[INDOLE-3,3′-PYRROLIDINE]-1′-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-096590
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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
  • Available purity: ≥95%
  • 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 205383-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

205383-87-5 / tert-butyl 2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

Standard CAS: 205383-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205383-87-5
Multi CAS
No
Molecular Formula
C16H20N2O3
Molecular Weight
288.340000
Exact Mass
288.147393
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C16H20N2O3/c1-15(2,3)21-14(20)18-9-8-16(10-18)11-6-4-5-7-12(11)17-13(16)19/h4-7H,8-10H2,1-3H3,(H,17,19)
InChIKey
FHCRLRHLKXXJJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.17
TPSA
58.64

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
1.6
Consensus LogP
2.12
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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