CAS RN: 912850-81-8
9-Benzoyl-3,6-dibromo-9H-carbazole
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-204240
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
912850-81-8 / (3,6-dibromocarbazol-9-yl)-phenylmethanone
Basic Information
CAS
912850-81-8
Multi CAS
No
Molecular Formula
C19H11BR2NO
Molecular Weight
429.100000
Exact Mass
428.918690
InChI
InChI=1S/C19H11Br2NO/c20-13-6-8-17-15(10-13)16-11-14(21)7-9-18(16)22(17)19(23)12-4-2-1-3-5-12/h1-11H
InChIKey
SQONRPMZFYXHTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
101.01
TPSA
22
LogP / Solubility
WLOGP
6.01
MLOGP
5.31
XLogP3
6.3
Consensus LogP
5.87
Log S (ESOL)
-6.83
Class (ESOL)
Insoluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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