![CAS 1346574-54-6 1H-Indole-4-carboxaMide, 6-broMo-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-3-Methyl-1-[(1S)-1-Methylpropyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346574-54-6.gif)
CAS RN: 1346574-54-6
1H-Indole-4-carboxaMide, 6-broMo-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-3-Methyl-1-[(1S)-1-Methylpropyl]-
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.20260627 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1346574-54-6
- Purity/Analytical Methods: >99.0%
1346574-54-6 / 6-bromo-1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
Basic Information
CAS
1346574-54-6
Multi CAS
No
Molecular Formula
C22H26BrN3O2
Molecular Weight
444.400000
Exact Mass
443.120840
SMILES
CC[C@H](C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)NCC3=C(C=C(NC3=O)C)C)C
InChI
InChI=1S/C22H26BrN3O2/c1-6-15(5)26-11-13(3)20-17(8-16(23)9-19(20)26)21(27)24-10-18-12(2)7-14(4)25-22(18)28/h7-9,11,15H,6,10H2,1-5H3,(H,24,27)(H,25,28)/t15-/m0/s1
InChIKey
CWZRACDIDASDPP-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.08
TPSA
66.89
LogP / Solubility
WLOGP
4.92
MLOGP
4.36
XLogP3
4.2
Consensus LogP
4.49
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.94
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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