CAS RN: 136622-67-8
1-METHYL-7-(TRIFLUOROMETHYL)-1H-INDOLE-2,3-DIONE
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.20250128 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS136622-67-8
- Purity/Analytical Methods: >99.0%
136622-67-8 / 1-methyl-7-(trifluoromethyl)indole-2,3-dione
Basic Information
CAS
136622-67-8
Multi CAS
No
Molecular Formula
C10H6F3NO2
Molecular Weight
229.150000
Exact Mass
229.035063
SMILES
CN1C2=C(C=CC=C2C(F)(F)F)C(=O)C1=O
InChI
InChI=1S/C10H6F3NO2/c1-14-7-5(8(15)9(14)16)3-2-4-6(7)10(11,12)13/h2-4H,1H3
InChIKey
JAXOXOOOXCOXAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
49.18
TPSA
37.38
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
NS 102
- CAS RN: 136623-01-3
- Product Code: starshine_CAS136623-01-3
- Purity/Analytical method: >99.0%
-
-
-
TREHALOSE 6-PHOSPHATE DIPOTASSIUM SALT
- CAS RN: 136632-28-5
- Product Code: starshine_CAS136632-28-5
- Purity/Analytical method: >99.0%
-
4-[(Diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-piperidinehydrochloride
- CAS RN: 136647-02-4
- Product Code: starshine_CAS136647-02-4
- Purity/Analytical method: >99.0%
-
![CAS 136647-02-4 4-[(Diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-piperidinehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136647-02-4.gif)
