CAS RN: 19201-53-7
3H-Indol-3-one, 6-bromo-2-(6-bromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
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.20251208 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS19201-53-7
- Purity/Analytical Methods: >99.0%
19201-53-7 / 6-bromo-2-(6-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
Basic Information
CAS
19201-53-7
Multi CAS
No
Molecular Formula
C16H8Br2N2O2
Molecular Weight
420.050000
Exact Mass
419.893200
SMILES
C1=CC2=C(C=C1Br)NC(=C2O)C3=NC4=C(C3=O)C=CC(=C4)Br
InChI
InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19,21H
InChIKey
UOZOCOQLYQNHII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
92.33
TPSA
65.45
LogP / Solubility
WLOGP
4.72
MLOGP
4.18
XLogP3
4.1
Consensus LogP
4.33
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
HINOKIFLAVONE
- CAS RN: 19202-36-9
- Product Code: starshine_CAS19202-36-9
- Purity/Analytical method: >99.0%
-
2-(2-HYDROXYETHYL)BENZENEBORONIC ACID DEHYDRATE 95
- CAS RN: 19206-51-0
- Product Code: starshine_CAS19206-51-0
- Purity/Analytical method: >99.0%
-
Harpagoside
- CAS RN: 19210-12-9
- Product Code: starshine_CAS19210-12-9
- Purity/Analytical method: >99.0%
-
-
-
.gif)
