CAS RN: 193694-04-1
4-BROMO-1-(TERT-BUTYLDIMETHYLSILYL)INDOLE
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.20260701 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS193694-04-1
- Purity/Analytical Methods: >99.0%
193694-04-1 / (4-bromoindol-1-yl)-tert-butyl-dimethylsilane
Basic Information
CAS
193694-04-1
Multi CAS
No
Molecular Formula
C14H20BrNSi
Molecular Weight
310.300000
Exact Mass
309.054840
SMILES
CC(C)(C)[Si](C)(C)N1C=CC2=C1C=CC=C2Br
InChI
InChI=1S/C14H20BrNSi/c1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16/h6-10H,1-5H3
InChIKey
LTHHTJMKYUPWCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
82.23
TPSA
4.93
LogP / Solubility
WLOGP
5.26
MLOGP
4.64
XLogP3
5.26
Consensus LogP
5.05
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
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
No
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
8beta-Methoxyatractylenolide I
- CAS RN: 193694-24-5
- Product Code: starshine_CAS193694-24-5
- Purity/Analytical method: >99.0%
-
1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-ethenylbenzene
- CAS RN: 193695-64-6
- Product Code: SSC-091512
-
6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXAMIDE
- CAS RN: 193743-93-0
- Product Code: starshine_CAS193743-93-0
- Purity/Analytical method: >99.0%
-
-
SB242235
- CAS RN: 193746-75-7
- Product Code: starshine_CAS193746-75-7
- Purity/Analytical method: >99.0%
-
![CAS 193695-64-6 1,3-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-ethenylbenzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/193695-64-6.gif)
![CAS 193743-93-0 6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/193743-93-0.gif)
