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CAS 1196074-15-3 5-(benzyloxy)-2-tert-butylpyridine molecular structure lightbox
CAS RN: 1196074-15-3

5-(benzyloxy)-2-tert-butylpyridine

  • Product code: SSC-020155
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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 1196074-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1196074-15-3 / 2-tert-butyl-5-phenylmethoxypyridine

5-(benzyloxy)-2-tert-butylpyridine | 5-(Benzyloxy)-2-(tert-butyl)pyridine | 2-tert-butyl-5-phenylmethoxypyridine

Standard CAS: 1196074-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196074-15-3
Multi CAS
No
Molecular Formula
C16H19NO
Molecular Weight
241.330000
Exact Mass
241.146664
SMILES
CC(C)(C)C1=NC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-16(2,3)15-10-9-14(11-17-15)18-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey
LHMLNODXDYWEBT-UHFFFAOYSA-N
Synonyms
5-(benzyloxy)-2-tert-butylpyridine 5-(Benzyloxy)-2-(tert-butyl)pyridine 2-tert-butyl-5-phenylmethoxypyridine MFCD28128499 SCHEMBL1511428

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.71
TPSA
22.12

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
4
Consensus LogP
3.82
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

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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