CAS RN: 265111-01-1
1-(5-Bromo-1-Tosyl-1H-Indol-3-Yl)Ethanone
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.20260216 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS265111-01-1
- Purity/Analytical Methods: >99.0%
265111-01-1 / 1-[5-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethanone
Basic Information
CAS
265111-01-1
Multi CAS
No
Molecular Formula
C17H14BrNO3S
Molecular Weight
392.300000
Exact Mass
390.987780
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C(=O)C
InChI
InChI=1S/C17H14BrNO3S/c1-11-3-6-14(7-4-11)23(21,22)19-10-16(12(2)20)15-9-13(18)5-8-17(15)19/h3-10H,1-2H3
InChIKey
LXJBSLYINDELGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.41
TPSA
56.14
LogP / Solubility
WLOGP
4.15
MLOGP
3.68
XLogP3
4
Consensus LogP
3.94
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 265116-85-6 3,3”-[OXYBIS(METHYLENE)]BIS-(1R,1”R)-1,1”-BI-2-NAPHTHOL molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3,3”-[OXYBIS(METHYLENE)]BIS-(1R,1”R)-1,1”-BI-2-NAPHTHOL
- CAS RN: 265116-85-6
- Product Code: starshine_CAS265116-85-6
- Purity/Analytical method: >99.0%
-
taiwanhomoflavone A
- CAS RN: 265120-00-1
- Product Code: starshine_CAS265120-00-1
- Purity/Analytical method: >99.0%
-
-
METHYL 3-(THIOPHEN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
- CAS RN: 265125-12-0
- Product Code: SSC-124461
-
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(2-methylpropyl)-, (4S,4’S)-
- CAS RN: 265127-64-8
- Product Code: starshine_CAS265127-64-8
- Purity/Analytical method: >99.0%
-
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-phenyl-, (4R,4’R)-
- CAS RN: 265127-65-9
- Product Code: starshine_CAS265127-65-9
- Purity/Analytical method: >99.0%
![CAS 265116-85-6 3,3”-[OXYBIS(METHYLENE)]BIS-(1R,1”R)-1,1”-BI-2-NAPHTHOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/265116-85-6.gif)
