CAS RN: 201530-78-1
Deferasirox Impurity 8
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.20251013 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS201530-78-1
- Purity/Analytical Methods: >99.0%
201530-78-1 / 2-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
Basic Information
CAS
201530-78-1
Multi CAS
No
Molecular Formula
C21H15N3O4
Molecular Weight
373.400000
Exact Mass
373.106256
SMILES
C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=CC=C4C(=O)O)O
InChI
InChI=1S/C21H15N3O4/c25-17-11-5-2-8-14(17)19-22-20(15-9-3-6-12-18(15)26)24(23-19)16-10-4-1-7-13(16)21(27)28/h1-12,25-26H,(H,27,28)
InChIKey
PDBKAEPAMFPDAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
23
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
102.52
TPSA
108.47
LogP / Solubility
WLOGP
3.71
MLOGP
3.29
XLogP3
3.8
Consensus LogP
3.6
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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