![CAS 164736-47-4 7-BROMO-1,2,3,4-TETRAHYDROCYCLOPENTA[B]INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/164736-47-4.gif)
CAS RN: 164736-47-4
7-BROMO-1,2,3,4-TETRAHYDROCYCLOPENTA[B]INDOLE
- Product code: SSC-072025
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.05g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
164736-47-4 / 7-bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
Basic Information
CAS
164736-47-4
Multi CAS
No
Molecular Formula
C11H10BrN
Molecular Weight
236.110000
Exact Mass
234.999660
SMILES
C1CC2=C(C1)NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C11H10BrN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H2
InChIKey
XKDWSCYYHKJAGK-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
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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