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CAS 887974-84-7 [6-(3,5-DICHLOROPHENYL)PYRIDIN-3-YL]METHANOL molecular structure lightbox
CAS RN: 887974-84-7

[6-(3,5-DICHLOROPHENYL)PYRIDIN-3-YL]METHANOL

  • Product code: SSC-200496
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 887974-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

887974-84-7 / [6-(3,5-dichlorophenyl)-3-pyridinyl]methanol

Standard CAS: 887974-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887974-84-7
Multi CAS
No
Molecular Formula
C12H9CL2NO
Molecular Weight
254.110000
Exact Mass
253.006119
InChI
InChI=1S/C12H9Cl2NO/c13-10-3-9(4-11(14)5-10)12-2-1-8(7-16)6-15-12/h1-6,16H,7H2
InChIKey
LMYUDPMZUDMWTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.62
TPSA
33.12

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
2.9
Consensus LogP
3.19
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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