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CAS 1270571-32-8 1-(4-chloropyridin-2-yl)-2-methylpropan-1-amine molecular structure lightbox
CAS RN: 1270571-32-8

1-(4-chloropyridin-2-yl)-2-methylpropan-1-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1270571-32-8
  • Purity/Analytical Methods: >99.0%
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1270571-32-8 / 1-(4-chloro-2-pyridinyl)-2-methylpropan-1-amine

Standard CAS: 1270571-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270571-32-8
Multi CAS
No
Molecular Formula
C9H13ClN2
Molecular Weight
184.660000
Exact Mass
184.076726
SMILES
CC(C)C(C1=NC=CC(=C1)Cl)N
InChI
InChI=1S/C9H13ClN2/c1-6(2)9(11)8-5-7(10)3-4-12-8/h3-6,9H,11H2,1-2H3
InChIKey
YOUDLLVSHDOEQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.01
TPSA
38.91

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
1.7
Consensus LogP
2.06
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.15

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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