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CAS 443913-15-3 p38-α MAPK-IN-1 molecular structure lightbox
CAS RN: 443913-15-3

p38-α MAPK-IN-1

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS443913-15-3
  • Purity/Analytical Methods: >99.0%
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443913-15-3 / 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea

Standard CAS: 443913-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
443913-15-3
Multi CAS
No
Molecular Formula
C27H35N5O3
Molecular Weight
477.600000
Exact Mass
477.273990
InChI
InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
InChIKey
FRZNJFWQVYAVCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
17
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
138.84
TPSA
80.65

LogP / Solubility

WLOGP
4.83
MLOGP
4.29
XLogP3
4.5
Consensus LogP
4.54
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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