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CAS 150054-50-5 2-HYDROXYMETHYL-3,5-DIMETHYL -4-CHLORO PYRIDINE molecular structure lightbox
CAS RN: 150054-50-5

2-HYDROXYMETHYL-3,5-DIMETHYL -4-CHLORO PYRIDINE

  • Product code: SSC-060020
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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: 0.25g
  • 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 150054-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

150054-50-5 / (4-chloro-3,5-dimethyl-2-pyridinyl)methanol

Standard CAS: 150054-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150054-50-5
Multi CAS
No
Molecular Formula
C8H10ClNO
Molecular Weight
171.620000
Exact Mass
171.045092
SMILES
CC1=CN=C(C(=C1Cl)C)CO
InChI
InChI=1S/C8H10ClNO/c1-5-3-10-7(4-11)6(2)8(5)9/h3,11H,4H2,1-2H3
InChIKey
CQKHUAFREIMBJI-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
44.64
TPSA
33.12

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.4
Consensus LogP
1.62
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.46

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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