CAS RN: 2240-22-4
Benazol P
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2240-22-4
- Purity/Analytical Methods: >99.0%
2240-22-4 / 2-(benzotriazol-2-yl)-4-methylphenol
Basic Information
CAS
2240-22-4
Multi CAS
No
Molecular Formula
C13H11N3O
Molecular Weight
225.250000
Exact Mass
225.090212
SMILES
CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKey
MCPKSFINULVDNX-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder; Other Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.27
TPSA
50.94
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
4.3
Consensus LogP
2.96
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.37
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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