CAS RN: 1215074-43-3

2,4-Dichloro-pyrido[4,3-d]pyrimidine

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  • Product code: starshine_CAS1215074-43-3
  • Purity/Analytical Methods: >99.0%
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1215074-43-3 / 2,4-dichloropyrido[4,3-d]pyrimidine

Standard CAS: 1215074-43-3 Multi CAS: No

Basic Information

CAS
1215074-43-3
Multi CAS
No
Molecular Formula
C7H3Cl2N3
Molecular Weight
200.020000
Exact Mass
198.970403
SMILES
C1=CN=CC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C7H3Cl2N3/c8-6-4-3-10-2-1-5(4)11-7(9)12-6/h1-3H
InChIKey
AAJVUQZMEROLRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
47.35
TPSA
38.67

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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