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CAS 41403-92-3 3-Amino-1-(pyridin-3-yl)propan-1-ol molecular structure lightbox
CAS RN: 41403-92-3

3-Amino-1-(pyridin-3-yl)propan-1-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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41403-92-3 / 3-amino-1-pyridin-3-ylpropan-1-ol

3-Amino-1-(pyridin-3-yl)propan-1-ol | 3-AMINO-1-(3-PYRIDINYL)-1-PROPANOL | 3-amino-1-(3-pyridyl)propan-1-ol

Standard CAS: 41403-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
41403-92-3
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
C1=CC(=CN=C1)C(CCN)O
InChI
InChI=1S/C8H12N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4,9H2
InChIKey
RTAJHYMECOMLFK-UHFFFAOYSA-N
Synonyms
3-Amino-1-(pyridin-3-yl)propan-1-ol 3-AMINO-1-(3-PYRIDINYL)-1-PROPANOL 3-amino-1-(3-pyridyl)propan-1-ol AKOS014313435 CS-0352559

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.87
TPSA
59.14

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
0.1
Consensus LogP
0.32
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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