CAS RN: 372196-67-3

PIK-75

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6 package records4 with current stock2 grade groups
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Batchno.20250110 25mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS372196-67-3
  • Purity/Analytical Methods: >99.0%
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372196-67-3 / N-[(Z)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide

Standard CAS: 372196-67-3 Multi CAS: Yes

Basic Information

CAS
372196-67-3
Multi CAS
Yes
Molecular Formula
BC16H14O4Rn5S
Molecular Weight
452.300000
Exact Mass
450.994990
InChI
InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
InChIKey
QTHCAAFKVUWAFI-DJKKODMXSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
103.27
TPSA
110.18

LogP / Solubility

WLOGP
2.97
MLOGP
2.64
XLogP3
3.8
Consensus LogP
3.14
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
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
Yes
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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