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CAS 1823370-46-2 3-Pyridinamine, 5-chloro-2,6-dimethyl- molecular structure lightbox
CAS RN: 1823370-46-2

3-Pyridinamine, 5-chloro-2,6-dimethyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1823370-46-2
  • Purity/Analytical Methods: >99.0%
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1823370-46-2 / 5-chloro-2,6-dimethylpyridin-3-amine

Standard CAS: 1823370-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823370-46-2
Multi CAS
No
Molecular Formula
C7H9ClN2
Molecular Weight
156.610000
Exact Mass
156.045426
SMILES
CC1=C(C=C(C(=N1)C)N)Cl
InChI
InChI=1S/C7H9ClN2/c1-4-6(8)3-7(9)5(2)10-4/h3H,9H2,1-2H3
InChIKey
LOQHVRIXXDLXLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.13
TPSA
38.91

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.3

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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