CAS RN: 1160247-92-6
1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin
Product Availability
Choose a grade to view its available package options.
8 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100mg | Out of stock | Inquiry | |
| Batchno.20260401 | 10mg | Out of stock | Inquiry | |
| Batchno.20260127 | 1mg | Out of stock | Inquiry | |
| Batchno.20250725 | 25mg | Out of stock | Inquiry | |
| Batchno.20250422 | 2mg | Out of stock | Inquiry | |
| Batchno.20260628 | 50mg | Out of stock | Inquiry | |
| Batchno.20260414 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1160247-92-6
- Purity/Analytical Methods: >99.0%
1160247-92-6 / 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
VU0238429 | 1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)- | ZH1ZWF5Q3P
Basic Information
CAS
1160247-92-6
Multi CAS
No
Molecular Formula
C17H12F3NO4
Molecular Weight
351.280000
Exact Mass
351.071842
SMILES
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O
InChI
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
InChIKey
CKLGZXFOLMHCMC-UHFFFAOYSA-N
Synonyms
VU0238429
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
ZH1ZWF5Q3P
VU-0238429
ML-129
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
81.64
TPSA
55.84
LogP / Solubility
WLOGP
3.32
MLOGP
2.94
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
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
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501
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