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CAS 786684-00-2 2-[(TETRAHYDRO-2H-PYRAN-4-YL)AMINO]ETHANOL molecular structure lightbox
CAS RN: 786684-00-2

2-[(TETRAHYDRO-2H-PYRAN-4-YL)AMINO]ETHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS786684-00-2
  • Purity/Analytical Methods: >99.0%
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786684-00-2 / 2-(oxan-4-ylamino)ethanol

Standard CAS: 786684-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
786684-00-2
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
InChI
InChI=1S/C7H15NO2/c9-4-3-8-7-1-5-10-6-2-7/h7-9H,1-6H2
InChIKey
MJGGXUIHZXJHNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.93
TPSA
41.49

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.23
XLogP3
-0.5
Consensus LogP
-0.33
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.79

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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