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CAS 1500377-36-5 (3-tert-butoxypyridin-4-yl)methanamine molecular structure lightbox
CAS RN: 1500377-36-5

(3-tert-butoxypyridin-4-yl)methanamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251127 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1500377-36-5
  • Purity/Analytical Methods: >99.0%
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1500377-36-5 / [3-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanamine

Standard CAS: 1500377-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1500377-36-5
Multi CAS
No
Molecular Formula
C10H16N2O
Molecular Weight
180.250000
Exact Mass
180.126263
SMILES
CC(C)(C)OC1=C(C=CN=C1)CN
InChI
InChI=1S/C10H16N2O/c1-10(2,3)13-9-7-12-5-4-8(9)6-11/h4-5,7H,6,11H2,1-3H3
InChIKey
SYXLDTFPGQFDRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.51
TPSA
48.14

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
0.7
Consensus LogP
1.31
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.6

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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