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CAS 90345-17-8 4-Pyridinamine, 3-ethyl- molecular structure lightbox
CAS RN: 90345-17-8

4-Pyridinamine, 3-ethyl-

  • Product code: SSC-202812
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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 90345-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

90345-17-8 / 3-ethylpyridin-4-amine

Standard CAS: 90345-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90345-17-8
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
InChI
InChI=1S/C7H10N2/c1-2-6-5-9-4-3-7(6)8/h3-5H,2H2,1H3,(H2,8,9)
InChIKey
ODKNKXQVRUFTPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.03
TPSA
38.91

LogP / Solubility

WLOGP
1.23
MLOGP
1.07
XLogP3
1
Consensus LogP
1.1
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

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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