CAS RN: 32260-73-4
7-Methoxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS32260-73-4
- Purity/Analytical Methods: >99.0%
32260-73-4 / 7-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
32260-73-4
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
InChI
InChI=1S/C12H14O2/c1-8-11(14-2)7-6-9-4-3-5-10(13)12(8)9/h6-7H,3-5H2,1-2H3
InChIKey
BABCONMRWCPGOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55
TPSA
26.3
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.09
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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