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CAS 5903-23-1 1-(Methoxymethyl)-naphthalene molecular structure lightbox
CAS RN: 5903-23-1

1-(Methoxymethyl)-naphthalene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5903-23-1
  • Purity/Analytical Methods: >99.0%
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5903-23-1 / 1-(methoxymethyl)naphthalene

Standard CAS: 5903-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5903-23-1
Multi CAS
No
Molecular Formula
C12H12O
Molecular Weight
172.220000
Exact Mass
172.088815
InChI
InChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKey
RRCDOVBQOMYGGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
54.66
TPSA
9.23

LogP / Solubility

WLOGP
2.99
MLOGP
2.62
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-1.65

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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