CAS RN: 99420-15-2

BTZO 1

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  • Product code: starshine_CAS99420-15-2
  • Purity/Analytical Methods: >99.0%
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99420-15-2 / 2-pyridin-2-yl-1,3-benzothiazin-4-one

Standard CAS: 99420-15-2 Multi CAS: Yes

Basic Information

CAS
99420-15-2
Multi CAS
Yes
Molecular Formula
C13H8N2OS
Molecular Weight
240.280000
Exact Mass
240.035734
InChI
InChI=1S/C13H8N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8H
InChIKey
GBAKVEWPYUIGHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.12
TPSA
42.85

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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