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CAS 1246349-88-1 1-(2,4-DICHLOROPYRIDIN-3-YL)ETHANOL molecular structure lightbox
CAS RN: 1246349-88-1

1-(2,4-DICHLOROPYRIDIN-3-YL)ETHANOL

  • Product code: SSC-028638
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1246349-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

1246349-88-1 / 1-(2,4-dichloro-3-pyridinyl)ethanol

Standard CAS: 1246349-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246349-88-1
Multi CAS
No
Molecular Formula
C7H7Cl2NO
Molecular Weight
192.040000
Exact Mass
190.990469
SMILES
CC(C1=C(C=CN=C1Cl)Cl)O
InChI
InChI=1S/C7H7Cl2NO/c1-4(11)6-5(8)2-3-10-7(6)9/h2-4,11H,1H3
InChIKey
DNLWSCOBNDPEOM-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
2
Consensus LogP
2.2
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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