![CAS 109589-98-2 5-bromoindolo[3,2,1-jk]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/75483300.png)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
109589-98-2 / 5-bromo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
5-Bromoindolo[3,2,1-jk]carbazole | 11-Bromoindolo[3,2,1-jk]carbazole | starbld0006624
Basic Information
CAS
109589-98-2
Multi CAS
No
Molecular Formula
C18H10BrN
Molecular Weight
320.200000
Exact Mass
318.999660
SMILES
C1=CC=C2C(=C1)C3=C4N2C5=C(C4=CC=C3)C=C(C=C5)Br
InChI
InChI=1S/C18H10BrN/c19-11-8-9-17-15(10-11)14-6-3-5-13-12-4-1-2-7-16(12)20(17)18(13)14/h1-10H
InChIKey
ZJIQJDUUTGPNKU-UHFFFAOYSA-N
Synonyms
5-Bromoindolo[3,2,1-jk]carbazole
11-Bromoindolo[3,2,1-jk]carbazole
starbld0006624
SCHEMBL15453212
SCHEMBL29649844
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
H-bond acceptors
1
Molar refractivity
88.8
TPSA
4.41
LogP / Solubility
WLOGP
5.6
MLOGP
4.94
XLogP3
6.5
Consensus LogP
5.68
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
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
No
Log Kp (skin permeation)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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