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CAS 389574-20-3 Prasugrel (Maleic acid) molecular structure lightbox
CAS RN: 389574-20-3

Prasugrel (Maleic acid)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS389574-20-3
  • Purity/Analytical Methods: >99.0%
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389574-20-3 / (Z)-but-2-enedioic acid;[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

Standard CAS: 389574-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
389574-20-3
Multi CAS
Yes
Molecular Formula
C24FH24NO7S
Molecular Weight
489.500000
Exact Mass
489.125751
InChI
InChI=1S/C20H20FNO3S.C4H4O4/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;5-3(6)1-2-4(7)8/h2-5,10,13,19H,6-9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
YFTPSWAPYMNPMX-BTJKTKAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
121.03
TPSA
121.21

LogP / Solubility

WLOGP
3.6
MLOGP
3.21
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15

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
3.5

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