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CAS 133238-82-1 (5-ethoxypyridin-2-yl)Methanol molecular structure lightbox
CAS RN: 133238-82-1

(5-ethoxypyridin-2-yl)Methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS133238-82-1
  • Purity/Analytical Methods: >99.0%
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133238-82-1 / (5-ethoxy-2-pyridinyl)methanol

Standard CAS: 133238-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133238-82-1
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
CCOC1=CN=C(C=C1)CO
InChI
InChI=1S/C8H11NO2/c1-2-11-8-4-3-7(6-10)9-5-8/h3-5,10H,2,6H2,1H3
InChIKey
WGESMOKYAZULNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.33
TPSA
42.35

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.3
Consensus LogP
0.71
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.96

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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