CAS RN: 85531-17-5
TRISALICYLIC ACID (100 MG)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS85531-17-5
- Purity/Analytical Methods: >99.0%
85531-17-5 / 2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
Basic Information
CAS
85531-17-5
Multi CAS
No
Molecular Formula
C21H14O7
Molecular Weight
378.300000
Exact Mass
378.073953
InChI
InChI=1S/C21H14O7/c22-16-10-4-1-7-13(16)20(25)28-18-12-6-3-9-15(18)21(26)27-17-11-5-2-8-14(17)19(23)24/h1-12,22H,(H,23,24)
InChIKey
YVJQWLQBUBZFTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
97.87
TPSA
110.13
LogP / Solubility
WLOGP
3.53
MLOGP
3.13
XLogP3
4.5
Consensus LogP
3.72
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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