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CAS 6714-68-7 SPIRO-(1,3-DIOXOLANE-2,3’INDOLIN)-2′-ONE molecular structure lightbox
CAS RN: 6714-68-7

SPIRO-(1,3-DIOXOLANE-2,3’INDOLIN)-2′-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 1g / 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6714-68-7
  • Purity/Analytical Methods: >99.0%
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6714-68-7 / spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

Standard CAS: 6714-68-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6714-68-7
Multi CAS
Yes
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
InChI
InChI=1S/C10H9NO3/c12-9-10(13-5-6-14-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)
InChIKey
PRMHWSVVQZVDGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.65
TPSA
47.56

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.3
Consensus LogP
0.63
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.29

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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