![CAS 1191422-81-7 4-Bromo-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrole-2-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1191422-81-7.gif)
CAS RN: 1191422-81-7
4-Bromo-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrole-2-carbaldehyde
- Product code: SSC-019621
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.25g, 0.1g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1191422-81-7 / 4-bromo-5-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbaldehyde
4-Bromo-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrole-2-carbaldehyde | MFCD31619534 | C17H22BrNO2Si
Basic Information
CAS
1191422-81-7
Multi CAS
No
Molecular Formula
C17H22BrNO2Si
Molecular Weight
380.400000
Exact Mass
379.060320
SMILES
C[Si](C)(C)CCOCN1C(=CC(=C1C2=CC=CC=C2)Br)C=O
InChI
InChI=1S/C17H22BrNO2Si/c1-22(2,3)10-9-21-13-19-15(12-20)11-16(18)17(19)14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3
InChIKey
MODBBDGCMGORRW-UHFFFAOYSA-N
Synonyms
4-Bromo-5-phenyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrole-2-carbaldehyde
MFCD31619534
C17H22BrNO2Si
4-bromo-5-phenyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carbaldehyde
AC1907
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
97.06
TPSA
31.23
LogP / Solubility
WLOGP
5.04
MLOGP
4.46
XLogP3
5.04
Consensus LogP
4.85
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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