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CAS 54280-71-6 1,4-Dihydro-2,6-dimethyl-4-(pentafluorophenyl)-3,5-pyridinedicarboxylic acid diethyl ester molecular structure lightbox
CAS RN: 54280-71-6

1,4-Dihydro-2,6-dimethyl-4-(pentafluorophenyl)-3,5-pyridinedicarboxylic acid diethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250907 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS54280-71-6
  • Purity/Analytical Methods: >99.0%
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54280-71-6 / diethyl 2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 54280-71-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54280-71-6
Multi CAS
Yes
Molecular Formula
C19F5H18NO4
Molecular Weight
419.300000
Exact Mass
419.115599
InChI
InChI=1S/C19H18F5NO4/c1-5-28-18(26)9-7(3)25-8(4)10(19(27)29-6-2)11(9)12-13(20)15(22)17(24)16(23)14(12)21/h11,25H,5-6H2,1-4H3
InChIKey
QABNLWXKUCMDBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.77
TPSA
64.63

LogP / Solubility

WLOGP
3.74
MLOGP
3.32
XLogP3
3.8
Consensus LogP
3.62
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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