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CAS 1448615-55-1 4-Pyridinamine, 3,5-bis(1-methylethyl)- molecular structure lightbox
CAS RN: 1448615-55-1

4-Pyridinamine, 3,5-bis(1-methylethyl)-

  • Product code: SSC-056199
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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 1448615-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1448615-55-1 / 3,5-di(propan-2-yl)pyridin-4-amine

Standard CAS: 1448615-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448615-55-1
Multi CAS
No
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
SMILES
CC(C)C1=CN=CC(=C1N)C(C)C
InChI
InChI=1S/C11H18N2/c1-7(2)9-5-13-6-10(8(3)4)11(9)12/h5-8H,1-4H3,(H2,12,13)
InChIKey
ROYFAMIRIYZCLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.83
TPSA
38.91

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-1.74

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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