CAS RN: 879093-09-1

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Batchno.20250915 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS879093-09-1
  • Purity/Analytical Methods: >99.0%
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879093-09-1 / 2,3-dihydro-1-benzofuran-7-ol

Standard CAS: 879093-09-1 Multi CAS: No

Basic Information

CAS
879093-09-1
Multi CAS
No
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
InChI
InChI=1S/C8H8O2/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,9H,4-5H2
InChIKey
KGUQAHWDPDAUMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.31
TPSA
29.46

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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