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CAS 41078-70-0 3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure lightbox
CAS RN: 41078-70-0

3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 100mg Out of stock Inquiry
Batchno.20250315 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTC2716
  • Purity/Analytical Methods: >98.0%(GC)(T)
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41078-70-0 / 3-(2-chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one

Standard CAS: 41078-70-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41078-70-0
Multi CAS
Yes
Molecular Formula
C11H11CLN2O
Molecular Weight
222.670000
Exact Mass
222.055991
InChI
InChI=1S/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3
InChIKey
LFTGLYCNMGGMKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.62
TPSA
34.37

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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