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CAS 2384574-97-2 Spiro[3H-indole-3,3′-pyrrolidine]-1′-carboxylic acid, 5-amino-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2384574-97-2

Spiro[3H-indole-3,3′-pyrrolidine]-1′-carboxylic acid, 5-amino-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250222 100mg Out of stock Inquiry
  • Product code: SSC-116305
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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: 0.25g
  • 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 2384574-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

2384574-97-2 / tert-butyl 5-amino-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

Standard CAS: 2384574-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2384574-97-2
Multi CAS
No
Molecular Formula
C16H21N3O3
Molecular Weight
303.360000
Exact Mass
303.158292
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C3=C(C=CC(=C3)N)NC2=O
InChI
InChI=1S/C16H21N3O3/c1-15(2,3)22-14(21)19-7-6-16(9-19)11-8-10(17)4-5-12(11)18-13(16)20/h4-5,8H,6-7,9,17H2,1-3H3,(H,18,20)
InChIKey
XBDXPAMKJVXXNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.59
TPSA
84.66

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
1
Consensus LogP
1.65
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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