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CAS 59115-43-4 2-Methoxy-6-phenylnaphthalene molecular structure lightbox
CAS RN: 59115-43-4

2-Methoxy-6-phenylnaphthalene

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59115-43-4
  • Purity/Analytical Methods: >99.0%
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59115-43-4 / 2-methoxy-6-phenylnaphthalene

Standard CAS: 59115-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59115-43-4
Multi CAS
No
Molecular Formula
C17H14O
Molecular Weight
234.290000
Exact Mass
234.104465
InChI
InChI=1S/C17H14O/c1-18-17-10-9-15-11-14(7-8-16(15)12-17)13-5-3-2-4-6-13/h2-12H,1H3
InChIKey
CNRLBMUETFJRMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
75.94
TPSA
9.23

LogP / Solubility

WLOGP
4.52
MLOGP
3.98
XLogP3
4.8
Consensus LogP
4.43
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94

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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