CAS RN: 7267-30-3
2-Benzothiazolecarbonitrile,4-methoxy-(7CI,8CI,9CI)
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS7267-30-3
- Purity/Analytical Methods: >99.0%
7267-30-3 / 4-methoxy-1,3-benzothiazole-2-carbonitrile
Basic Information
CAS
7267-30-3
Multi CAS
No
Molecular Formula
C9H6N2OS
Molecular Weight
190.220000
Exact Mass
190.020084
InChI
InChI=1S/C9H6N2OS/c1-12-6-3-2-4-7-9(6)11-8(5-10)13-7/h2-4H,1H3
InChIKey
NNVOWTIUIOZIKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
50.89
TPSA
45.91
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 7271-07-0 4-(3-FLUOROPHENYL)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6460127.gif)
