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CAS 214614-65-0 3-Pyridineethanol,6-methoxy-(9CI) molecular structure lightbox
CAS RN: 214614-65-0

3-Pyridineethanol,6-methoxy-(9CI)

  • Product code: SSC-102903
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 214614-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

214614-65-0 / 2-(6-methoxy-3-pyridinyl)ethanol

Standard CAS: 214614-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214614-65-0
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
COC1=NC=C(C=C1)CCO
InChI
InChI=1S/C8H11NO2/c1-11-8-3-2-7(4-5-10)6-9-8/h2-3,6,10H,4-5H2,1H3
InChIKey
AKSMSASUBIOLME-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
41.58
TPSA
42.35

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.7
Consensus LogP
0.62
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.21

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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