![CAS 334951-92-7 1H-Indole-6-carboxaMide, 3-[[[3-[(diMethylaMino)Methyl]phenyl]aMino]phenylMethylene]-2,3-dihydro-N-Methyl-2-oxo-, (3Z)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/334951-92-7.gif)
CAS RN: 334951-92-7
1H-Indole-6-carboxaMide, 3-[[[3-[(diMethylaMino)Methyl]phenyl]aMino]phenylMethylene]-2,3-dihydro-N-Methyl-2-oxo-, (3Z)-
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 10mg | In stock | Inquiry | |
| Batchno.20260202 | 1mg | In stock | Inquiry | |
| Batchno.20251105 | 25mg | In stock | Inquiry | |
| Batchno.20251007 | 50mg | In stock | Inquiry | |
| Batchno.20251224 | 5mg | In stock | Inquiry | |
| Batchno.20260311 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS334951-92-7
- Purity/Analytical Methods: >99.0%
334951-92-7 / 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N-methyl-1H-indole-6-carboxamide
Basic Information
CAS
334951-92-7
Multi CAS
No
Molecular Formula
C26H26N4O2
Molecular Weight
426.500000
Exact Mass
426.205576
InChI
InChI=1S/C26H26N4O2/c1-27-25(31)19-12-13-21-22(15-19)29-26(32)23(21)24(18-9-5-4-6-10-18)28-20-11-7-8-17(14-20)16-30(2)3/h4-15,29,32H,16H2,1-3H3,(H,27,31)
InChIKey
UPICVLXBXZXYIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
128.93
TPSA
80.72
LogP / Solubility
WLOGP
4.46
MLOGP
3.96
XLogP3
4.3
Consensus LogP
4.24
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
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
3
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