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CAS 64053-78-7 Spiro[cyclopropane-1,2′-[2H]indol]-3′(1’H)-one molecular structure lightbox
CAS RN: 64053-78-7

Spiro[cyclopropane-1,2′-[2H]indol]-3′(1’H)-one

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251125 100mg In stock Shanghai Inquiry
Batchno.20250504 1g Out of stock Inquiry
Batchno.20250505 250mg Out of stock Inquiry
Batchno.20260613 50mg In stock Shanghai Inquiry
Batchno.20251115 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64053-78-7
  • Purity/Analytical Methods: >99.0%
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64053-78-7 / spiro[1H-indole-2,1'-cyclopropane]-3-one

Standard CAS: 64053-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64053-78-7
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
InChI
InChI=1S/C10H9NO/c12-9-7-3-1-2-4-8(7)11-10(9)5-6-10/h1-4,11H,5-6H2
InChIKey
JFGZKZGGDVMKDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.36
TPSA
29.1

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.8
Consensus LogP
1.74
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.39

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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