CAS RN: 6411-34-3
4-ALLYLOXY-PHENOL
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS6411-34-3
- Purity/Analytical Methods: >99.0%
6411-34-3 / 4-prop-2-enoxyphenol
Basic Information
CAS
6411-34-3
Multi CAS
No
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
InChI
InChI=1S/C9H10O2/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6,10H,1,7H2
InChIKey
PWRCOONECNWDBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.8
TPSA
29.46
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
2.6
Consensus LogP
2.09
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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