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CAS 57311-18-9 4-CHLORO-2-PHENYLPYRIDINE molecular structure lightbox
CAS RN: 57311-18-9

4-CHLORO-2-PHENYLPYRIDINE

  • Product code: SSC-165424
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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
  • 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 57311-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

57311-18-9 / 4-chloro-2-phenylpyridine

Standard CAS: 57311-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57311-18-9
Multi CAS
No
Molecular Formula
C11H8CLN
Molecular Weight
189.640000
Exact Mass
189.034527
InChI
InChI=1S/C11H8ClN/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
BFRWDRFLYBYSFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.68
TPSA
12.89

LogP / Solubility

WLOGP
3.4
MLOGP
2.99
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

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

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