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CAS 4730-93-2 3a’,4′,7′,7a’-tetrahydrospiro[cyclopropane-1,8′-[2]oxa[4,7]methano[2]benzofuran]-1′,3′-dione molecular structure lightbox
CAS RN: 4730-93-2

3a’,4′,7′,7a’-tetrahydrospiro[cyclopropane-1,8′-[2]oxa[4,7]methano[2]benzofuran]-1′,3′-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4730-93-2
  • Purity/Analytical Methods: >99.0%
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4730-93-2 / spiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

Standard CAS: 4730-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4730-93-2
Multi CAS
No
Molecular Formula
C11H10O3
Molecular Weight
190.190000
Exact Mass
190.062994
InChI
InChI=1S/C11H10O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h1-2,5-8H,3-4H2
InChIKey
KPGJKBBMROFHML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.64
H-bond acceptors
3
Molar refractivity
45.87
TPSA
43.37

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1.1
Consensus LogP
0.93
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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