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CAS 2097800-23-0 7’-Amino-5,5-dimethylspiro[[1,3]dioxane-2,3’-indolin]-2’-one molecular structure lightbox
CAS RN: 2097800-23-0

7’-Amino-5,5-dimethylspiro[[1,3]dioxane-2,3’-indolin]-2’-one

  • Product code: SSC-099574
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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: 0.1g, 0.25g, 1g, 5g
  • 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 2097800-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2097800-23-0 / 7'-amino-5,5-dimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one

Standard CAS: 2097800-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097800-23-0
Multi CAS
No
Molecular Formula
C13H16N2O3
Molecular Weight
248.280000
Exact Mass
248.116092
SMILES
CC1(COC2(C3=C(C(=CC=C3)N)NC2=O)OC1)C
InChI
InChI=1S/C13H16N2O3/c1-12(2)6-17-13(18-7-12)8-4-3-5-9(14)10(8)15-11(13)16/h3-5H,6-7,14H2,1-2H3,(H,15,16)
InChIKey
CAIXTUQZPIUDDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.85
TPSA
73.58

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
0.8
Consensus LogP
1.18
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.21

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
2.5

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