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CAS 558465-93-3 2,5-DICHLORO-3-HYDROXYMETHYLPYRIDINE molecular structure lightbox
CAS RN: 558465-93-3

2,5-DICHLORO-3-HYDROXYMETHYLPYRIDINE

  • Product code: SSC-163803
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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 558465-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

558465-93-3 / (2,5-dichloro-3-pyridinyl)methanol

Standard CAS: 558465-93-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
558465-93-3
Multi CAS
Yes
Molecular Formula
C6H5CL2NO
Molecular Weight
178.010000
Exact Mass
176.974819
InChI
InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
InChIKey
OMVBAPGBNPDUNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.18
TPSA
33.12

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.47

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
1.5

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