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CAS 672926-32-8 Kif15-IN-1 molecular structure lightbox
CAS RN: 672926-32-8

Kif15-IN-1

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 100mg In stock Shanghai Inquiry
Batchno.20250829 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS672926-32-8
  • Purity/Analytical Methods: >99.0%
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672926-32-8 / ethyl 2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Standard CAS: 672926-32-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
672926-32-8
Multi CAS
Yes
Molecular Formula
C20H22N4O5S
Molecular Weight
430.500000
Exact Mass
430.131091
InChI
InChI=1S/C20H22N4O5S/c1-5-29-18(27)15-11(4)21-19(30-15)23-16(25)14(10(2)3)24-17(26)12-8-6-7-9-13(12)22-20(24)28/h6-10,14H,5H2,1-4H3,(H,22,28)(H,21,23,25)/t14-/m0/s1
InChIKey
CTQQKICGMSZCJL-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
114.14
TPSA
123.15

LogP / Solubility

WLOGP
2.47
MLOGP
2.2
XLogP3
3.2
Consensus LogP
2.62
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.59

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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