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CAS 581098-48-8 p38 MAP Kinase Inhibitor III molecular structure lightbox
CAS RN: 581098-48-8

p38 MAP Kinase Inhibitor III

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251012 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS581098-48-8
  • Purity/Analytical Methods: >99.0%
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581098-48-8 / 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine

Standard CAS: 581098-48-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
581098-48-8
Multi CAS
Yes
Molecular Formula
C23FH21N4S
Molecular Weight
404.500000
Exact Mass
404.147096
InChI
InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1
InChIKey
VXPWQNBKEIVYIS-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
23
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
117.47
TPSA
53.6

LogP / Solubility

WLOGP
6.17
MLOGP
5.46
XLogP3
5.5
Consensus LogP
5.71
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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