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CAS 179096-71-0 2-(tetrahydro-2H-pyran-4-yl)propan-2-amine molecular structure lightbox
CAS RN: 179096-71-0

2-(tetrahydro-2H-pyran-4-yl)propan-2-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS179096-71-0
  • Purity/Analytical Methods: >99.0%
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179096-71-0 / 2-(oxan-4-yl)propan-2-amine

Standard CAS: 179096-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179096-71-0
Multi CAS
No
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
SMILES
CC(C)(C1CCOCC1)N
InChI
InChI=1S/C8H17NO/c1-8(2,9)7-3-5-10-6-4-7/h7H,3-6,9H2,1-2H3
InChIKey
ZNSOJZFYOUTLEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.81
TPSA
35.25

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.78

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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