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CAS 959162-99-3 6-chloro-4-(ethylamino)-3-Pyridinemethanol molecular structure lightbox
CAS RN: 959162-99-3

6-chloro-4-(ethylamino)-3-Pyridinemethanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS959162-99-3
  • Purity/Analytical Methods: >99.0%
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959162-99-3 / [6-chloro-4-(ethylamino)-3-pyridinyl]methanol

Standard CAS: 959162-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959162-99-3
Multi CAS
No
Molecular Formula
C8H11CLN2O
Molecular Weight
186.640000
Exact Mass
186.055991
InChI
InChI=1S/C8H11ClN2O/c1-2-10-7-3-8(9)11-4-6(7)5-12/h3-4,12H,2,5H2,1H3,(H,10,11)
InChIKey
MPXJZSOEDMDXJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.33
TPSA
45.15

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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