CAS RN: 309752-65-6
6-(Hydroxymethyl)-2-naphthol
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS309752-65-6
- Purity/Analytical Methods: >99.0%
309752-65-6 / 3-methoxynaphthalen-2-ol
Basic Information
CAS
309752-65-6
Multi CAS
Yes
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
InChI
InChI=1S/C11H10O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,12-13H,7H2
InChIKey
KROVHQCEBMIYGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.16
TPSA
29.46
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.8
Consensus LogP
2.53
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-1.97
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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![CAS 309934-86-9 R-3,3′-bis[4-(2-naphthalenyl)phenyl]-1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/309934-86-9.gif)