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CAS 14146-00-0 2H-Pyran-4-methanamine, tetrahydro-4-phenyl-, hydrochloride molecular structure lightbox
CAS RN: 14146-00-0

2H-Pyran-4-methanamine, tetrahydro-4-phenyl-, hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS14146-00-0
  • Purity/Analytical Methods: >99.0%
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14146-00-0 / (4-phenyloxan-4-yl)methanamine;hydrochloride

Standard CAS: 14146-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14146-00-0
Multi CAS
No
Molecular Formula
C12H18ClNO
Molecular Weight
227.730000
Exact Mass
227.107692
SMILES
C1COCCC1(CN)C2=CC=CC=C2.Cl
InChI
InChI=1S/C12H17NO.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5H,6-10,13H2;1H
InChIKey
BISSAEQVEFSRCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.48
TPSA
35.25

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
2.12
Consensus LogP
2.03
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.61

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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