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CAS 1056942-24-5 6-benzofuranmethanol molecular structure lightbox
CAS RN: 1056942-24-5

6-benzofuranmethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1056942-24-5
  • Purity/Analytical Methods: >99.0%
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1056942-24-5 / 1-benzofuran-6-ylmethanol

Benzofuran-6-ylmethanol | 1-benzofuran-6-ylmethanol | MFCD12406312

Standard CAS: 1056942-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056942-24-5
Multi CAS
No
Molecular Formula
C9H8O2
Molecular Weight
148.160000
Exact Mass
148.052429
SMILES
C1=CC(=CC2=C1C=CO2)CO
InChI
InChI=1S/C9H8O2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,10H,6H2
InChIKey
ZNYSQZXILSLIIT-UHFFFAOYSA-N
Synonyms
Benzofuran-6-ylmethanol 1-benzofuran-6-ylmethanol MFCD12406312 6-(Hydroxymethyl)benzofuran (1-benzofuran-6-yl)methanol

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.14
TPSA
33.37

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.26

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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