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CAS 946427-72-1 ethyl 6-hydroxybenzofuran-3-carboxylate molecular structure lightbox
CAS RN: 946427-72-1

ethyl 6-hydroxybenzofuran-3-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS946427-72-1
  • Purity/Analytical Methods: >99.0%
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946427-72-1 / ethyl 6-hydroxy-1-benzofuran-3-carboxylate

Standard CAS: 946427-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946427-72-1
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
InChI
InChI=1S/C11H10O4/c1-2-14-11(13)9-6-15-10-5-7(12)3-4-8(9)10/h3-6,12H,2H2,1H3
InChIKey
RXPGUNOYNYVCGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.84
TPSA
59.67

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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