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CAS 1198416-70-4 5-(4-Chlorophenyl)-2-methoxypyridine molecular structure lightbox
CAS RN: 1198416-70-4

5-(4-Chlorophenyl)-2-methoxypyridine

  • Product code: SSC-020630
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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 1198416-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1198416-70-4 / 5-(4-chlorophenyl)-2-methoxypyridine

5-(4-Chlorophenyl)-2-methoxypyridine | MFCD20491458 | Pyridine, 5-(4-chlorophenyl)-2-methoxy-

Standard CAS: 1198416-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198416-70-4
Multi CAS
No
Molecular Formula
C12H10ClNO
Molecular Weight
219.660000
Exact Mass
219.045092
SMILES
COC1=NC=C(C=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO/c1-15-12-7-4-10(8-14-12)9-2-5-11(13)6-3-9/h2-8H,1H3
InChIKey
MFGIPJHITFHLDJ-UHFFFAOYSA-N
Synonyms
5-(4-Chlorophenyl)-2-methoxypyridine MFCD20491458 Pyridine, 5-(4-chlorophenyl)-2-methoxy- SCHEMBL13575396 SCHEMBL18979896

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.24
TPSA
22.12

LogP / Solubility

WLOGP
3.41
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-1.64

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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