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CAS 887974-03-0 [5-(2-CHLOROPHENYL)PYRIDIN-3-YL]METHANOL molecular structure lightbox
CAS RN: 887974-03-0

[5-(2-CHLOROPHENYL)PYRIDIN-3-YL]METHANOL

  • Product code: SSC-200488
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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: 1g, 5g
  • 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 887974-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

887974-03-0 / [5-(2-chlorophenyl)-3-pyridinyl]methanol

Standard CAS: 887974-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887974-03-0
Multi CAS
No
Molecular Formula
C12H10CLNO
Molecular Weight
219.660000
Exact Mass
219.045092
InChI
InChI=1S/C12H10ClNO/c13-12-4-2-1-3-11(12)10-5-9(8-15)6-14-7-10/h1-7,15H,8H2
InChIKey
LIBXGSZDVDXNDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.61
TPSA
33.12

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.2
Consensus LogP
2.55
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-2.01

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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