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CAS 385390-91-0 2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine molecular structure lightbox
CAS RN: 385390-91-0

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS385390-91-0
  • Purity/Analytical Methods: >99.0%
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385390-91-0 / 2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine

Standard CAS: 385390-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
385390-91-0
Multi CAS
No
Molecular Formula
C9H12CLFN4
Molecular Weight
230.670000
Exact Mass
230.073452
InChI
InChI=1S/C9H12ClFN4/c1-14-2-4-15(5-3-14)8-7(11)6-12-9(10)13-8/h6H,2-5H2,1H3
InChIKey
ZJNIGBKSMFMPMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.71
TPSA
32.26

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.5
Consensus LogP
1.14
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.4

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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