CAS RN: 221024-31-3
5-BroMo-7-chloroindoline
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.20251124 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS221024-31-3
- Purity/Analytical Methods: >99.0%
221024-31-3 / 5-bromo-7-chloro-2,3-dihydro-1H-indole
Basic Information
CAS
221024-31-3
Multi CAS
No
Molecular Formula
C8H7BrClN
Molecular Weight
232.500000
Exact Mass
230.945040
SMILES
C1CNC2=C1C=C(C=C2Cl)Br
InChI
InChI=1S/C8H7BrClN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4,11H,1-2H2
InChIKey
MVNYXXSOOZHUAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.35
TPSA
12.03
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 221031-08-9
- Product Code: starshine_CAS221031-08-9
- Purity/Analytical method: >99.0%
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