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CAS 1254473-66-9 4-PyridineMethanol, 3,5-dichloro-α-Methyl- molecular structure lightbox
CAS RN: 1254473-66-9

4-PyridineMethanol, 3,5-dichloro-α-Methyl-

  • Product code: SSC-030187
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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, 0.25g, 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 1254473-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1254473-66-9 / 1-(3,5-dichloro-4-pyridinyl)ethanol

Standard CAS: 1254473-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1254473-66-9
Multi CAS
No
Molecular Formula
C7H7Cl2NO
Molecular Weight
192.040000
Exact Mass
190.990469
SMILES
CC(C1=C(C=NC=C1Cl)Cl)O
InChI
InChI=1S/C7H7Cl2NO/c1-4(11)7-5(8)2-10-3-6(7)9/h2-4,11H,1H3
InChIKey
KCPDCYCCMCEYQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.89
TPSA
33.12

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.6
Consensus LogP
2.06
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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