CAS RN: 2007920-59-2

7-chloro-1,5-naphthyridin-3-amine

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Batchno.20250531 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2007920-59-2
  • Purity/Analytical Methods: >99.0%
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2007920-59-2 / 7-chloro-1,5-naphthyridin-3-amine

Standard CAS: 2007920-59-2 Multi CAS: No

Basic Information

CAS
2007920-59-2
Multi CAS
No
Molecular Formula
C8H6ClN3
Molecular Weight
179.600000
Exact Mass
179.025025
SMILES
C1=C(C=NC2=C1N=CC(=C2)Cl)N
InChI
InChI=1S/C8H6ClN3/c9-5-1-7-8(11-3-5)2-6(10)4-12-7/h1-4H,10H2
InChIKey
NBBJOBJJXADIQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.96
TPSA
51.8

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.2
Consensus LogP
1.57
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

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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