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CAS 54087-32-0 2-(1-Hydroxy-1-Methylethyl)-4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one molecular structure lightbox
CAS RN: 54087-32-0

2-(1-Hydroxy-1-Methylethyl)-4-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 5mg Out of stock Inquiry
  • Product code: starshine_CAS54087-32-0
  • Purity/Analytical Methods: >99.0%
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54087-32-0 / 2-(2-hydroxypropan-2-yl)-4-methoxyfuro[3,2-g]chromen-7-one

Standard CAS: 54087-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54087-32-0
Multi CAS
No
Molecular Formula
C15H14O5
Molecular Weight
274.270000
Exact Mass
274.084124
InChI
InChI=1S/C15H14O5/c1-15(2,17)12-6-9-11(19-12)7-10-8(14(9)18-3)4-5-13(16)20-10/h4-7,17H,1-3H3
InChIKey
XCLWLMIHAUZKOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
13
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.05
TPSA
72.81

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2
Consensus LogP
2.41
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-2.42

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
1.5

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