CAS RN: 917393-39-6

Lorediplon

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Batchno.20260105 1mg / 5mg / 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS917393-39-6
  • Purity/Analytical Methods: >99.0%
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917393-39-6 / N-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide

Standard CAS: 917393-39-6 Multi CAS: No

Basic Information

CAS
917393-39-6
Multi CAS
No
Molecular Formula
C20FH15N4O2S
Molecular Weight
394.400000
Exact Mass
394.089975
InChI
InChI=1S/C20H15FN4O2S/c1-12(26)24(2)17-10-13(5-6-15(17)21)16-7-8-22-20-14(11-23-25(16)20)19(27)18-4-3-9-28-18/h3-11H,1-2H3
InChIKey
NQPOCLFSADOXBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
105.22
TPSA
67.57

LogP / Solubility

WLOGP
3.81
MLOGP
3.38
XLogP3
2.8
Consensus LogP
3.33
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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