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CAS 936006-11-0 5-(6-Hydroxybenzofuran-2-yl)-2-(3-methylbut-1-enyl)benzene-1,3-diol molecular structure lightbox
CAS RN: 936006-11-0

5-(6-Hydroxybenzofuran-2-yl)-2-(3-methylbut-1-enyl)benzene-1,3-diol

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS936006-11-0
  • Purity/Analytical Methods: >99.0%
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936006-11-0 / 5-(6-hydroxy-1-benzofuran-2-yl)-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol

Standard CAS: 936006-11-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
936006-11-0
Multi CAS
Yes
Molecular Formula
C19H18O4
Molecular Weight
310.300000
Exact Mass
310.120509
InChI
InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-11,20-22H,1-2H3/b6-3+
InChIKey
YVWWLJFWZOKLLA-ZZXKWVIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
90.52
TPSA
73.83

LogP / Solubility

WLOGP
4.89
MLOGP
4.31
XLogP3
4.7
Consensus LogP
4.63
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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