CAS RN: 86607-82-1

2-Dibenzofuranmethanol

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Batchno.20250323 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS86607-82-1
  • Purity/Analytical Methods: >99.0%
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86607-82-1 / dibenzofuran-2-ylmethanol

Standard CAS: 86607-82-1 Multi CAS: Yes

Basic Information

CAS
86607-82-1
Multi CAS
Yes
Molecular Formula
C13H10O2
Molecular Weight
198.220000
Exact Mass
198.068080
InChI
InChI=1S/C13H10O2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,14H,8H2
InChIKey
ZMBVDFRNENAAKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.64
TPSA
33.37

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-1.74

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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