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CAS 35740-18-2 9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one molecular structure lightbox
CAS RN: 35740-18-2

9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one

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Batchno.20250617 10mg Out of stock Inquiry
  • Product code: starshine_CAS35740-18-2
  • Purity/Analytical Methods: >99.0%
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35740-18-2 / 9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one

Standard CAS: 35740-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35740-18-2
Multi CAS
No
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3
InChIKey
CTJZWFCPUDPLME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.7
TPSA
65.11

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
2.2
Consensus LogP
2.68
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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
3.5

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