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CAS 55249-73-5 p-(ethoxymethyl)anisole molecular structure lightbox
CAS RN: 55249-73-5

p-(ethoxymethyl)anisole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55249-73-5
  • Purity/Analytical Methods: >99.0%
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55249-73-5 / 1-(ethoxymethyl)-4-methoxybenzene

Standard CAS: 55249-73-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55249-73-5
Multi CAS
Yes
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
InChI
InChI=1S/C10H14O2/c1-3-12-8-9-4-6-10(11-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey
MAJJDGWXCUOAJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
48.32
TPSA
18.46

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2
Consensus LogP
2.06
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-2.15

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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