CAS RN: 324761-15-1

2-Benzofuranmethanol, -alpha–methyl-, (-alpha-S)-

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Batchno.20250921 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS324761-15-1
  • Purity/Analytical Methods: >99.0%
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324761-15-1 / 1-(1-benzofuran-2-yl)ethanol

Standard CAS: 324761-15-1 Multi CAS: Yes

Basic Information

CAS
324761-15-1
Multi CAS
Yes
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
InChI
InChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3/t7-/m0/s1
InChIKey
SCLFEKBHGKCUPA-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.85
TPSA
33.37

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.19
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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