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CAS 1355200-45-1 1-(6-Chloro-4-methyl-pyridin-3-yl)-ethanol molecular structure lightbox
CAS RN: 1355200-45-1

1-(6-Chloro-4-methyl-pyridin-3-yl)-ethanol

  • Product code: SSC-044039
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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: 0.1g
  • Available purity: ＞97%
  • 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 1355200-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry

1355200-45-1 / 1-(6-chloro-4-methyl-3-pyridinyl)ethanol

Standard CAS: 1355200-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1355200-45-1
Multi CAS
No
Molecular Formula
C8H10ClNO
Molecular Weight
171.620000
Exact Mass
171.045092
SMILES
CC1=CC(=NC=C1C(C)O)Cl
InChI
InChI=1S/C8H10ClNO/c1-5-3-8(9)10-4-7(5)6(2)11/h3-4,6,11H,1-2H3
InChIKey
XXIOXQZJAWDIBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.62
TPSA
33.12

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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