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CAS 26386-94-7 2-METHOXY-6-METHYLNAPHTHALENE molecular structure lightbox
CAS RN: 26386-94-7

2-METHOXY-6-METHYLNAPHTHALENE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26386-94-7
  • Purity/Analytical Methods: >99.0%
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26386-94-7 / 2-methoxy-6-methylnaphthalene

Standard CAS: 26386-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26386-94-7
Multi CAS
No
Molecular Formula
C12H12O
Molecular Weight
172.220000
Exact Mass
172.088815
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)OC
InChI
InChI=1S/C12H12O/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9/h3-8H,1-2H3
InChIKey
JWXYEXKKOMBZBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.24
TPSA
9.23

LogP / Solubility

WLOGP
3.16
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.53

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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