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CAS 57726-26-8 alpha-ethoxy-p-cresol molecular structure lightbox
CAS RN: 57726-26-8

alpha-ethoxy-p-cresol

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100mg In stock Shanghai Inquiry
Batchno.20250724 1g In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai Inquiry
Batchno.20251101 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS57726-26-8
  • Purity/Analytical Methods: >99.0%
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57726-26-8 / 4-(ethoxymethyl)phenol

Standard CAS: 57726-26-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
57726-26-8
Multi CAS
Yes
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
InChI
InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3
InChIKey
UWQZVUQKBWZNLN-UHFFFAOYSA-N

Physical Properties

Melting Point
52.00 to 53.00 °C. @ 760.00 mm Hg
Boiling Point
240.00 to 242.00 °C. @ 760.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.44
TPSA
29.46

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
1.2
Consensus LogP
1.61
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.28

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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