![CAS 327022-09-3 8-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/327022-09-3.gif)
CAS RN: 327022-09-3
8-Bromo-1,2,3,4-tetrahydrocyclopenta[b]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.20260326 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS327022-09-3
- Purity/Analytical Methods: >99.0%
327022-09-3 / 8-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
Basic Information
CAS
327022-09-3
Multi CAS
No
Molecular Formula
BC11H10Rn
Molecular Weight
236.110000
Exact Mass
234.999660
InChI
InChI=1S/C11H10BrN/c12-8-4-2-6-10-11(8)7-3-1-5-9(7)13-10/h2,4,6,13H,1,3,5H2
InChIKey
AMDPXODFIBNXFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond donors
1
Molar refractivity
58.02
TPSA
15.79
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
3.4
Consensus LogP
3.28
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
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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