CAS RN: 883973-99-7

FBPase-1 Inhibitor

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  • Product code: starshine_CAS883973-99-7
  • Purity/Analytical Methods: >99.0%
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883973-99-7 / 2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide

Standard CAS: 883973-99-7 Multi CAS: No

Basic Information

CAS
883973-99-7
Multi CAS
No
Molecular Formula
C13H7CL3N2O3S
Molecular Weight
377.600000
Exact Mass
375.924296
InChI
InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
InChIKey
JCXZHFCBNFFHRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.29
TPSA
72.2

LogP / Solubility

WLOGP
4.59
MLOGP
4.06
XLogP3
4.5
Consensus LogP
4.38
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

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)
-1.77

Drug-likeness / Medicinal Chemistry

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

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