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CAS 1844884-59-8 (4-Aminomethyl-pyridin-2-yl)-methanol molecular structure lightbox
CAS RN: 1844884-59-8

(4-Aminomethyl-pyridin-2-yl)-methanol

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 100mg In stock Shanghai Inquiry
Batchno.20250316 1g In stock Shanghai Inquiry
Batchno.20260515 250mg In stock Shanghai Inquiry
Batchno.20250828 5g In stock Shanghai Inquiry
  • Product code: LINA888112
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1844884-59-8 / [4-(aminomethyl)-2-pyridinyl]methanol;hydrochloride

Standard CAS: 1844884-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1844884-59-8
Multi CAS
No
Molecular Formula
C7H11ClN2O
Molecular Weight
174.630000
Exact Mass
174.055991
SMILES
C1=CN=C(C=C1CN)CO.Cl
InChI
InChI=1S/C7H10N2O.ClH/c8-4-6-1-2-9-7(3-6)5-10;/h1-3,10H,4-5,8H2;1H
InChIKey
SQCHJUFRILMMCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.3
TPSA
59.14

LogP / Solubility

WLOGP
0.45
MLOGP
0.4
XLogP3
0.45
Consensus LogP
0.43
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.46

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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