CAS RN: 1134188-18-3
9H-Carbazole, 9-(3-bromophenyl)-3,6-bis(1,1-dimethylethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260629 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-013541
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 | Shenzhen | Inquiry |
1134188-18-3 / 9-(3-bromophenyl)-3,6-ditert-butylcarbazole
9-(3-Bromophenyl)-3,6-di-tert-butyl-9H-carbazole | MFCD34705618 | SCHEMBL16670952
Basic Information
CAS
1134188-18-3
Multi CAS
No
Molecular Formula
C26H28BrN
Molecular Weight
434.400000
Exact Mass
433.140510
SMILES
CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC(=CC=C4)Br
InChI
InChI=1S/C26H28BrN/c1-25(2,3)17-10-12-23-21(14-17)22-15-18(26(4,5)6)11-13-24(22)28(23)20-9-7-8-19(27)16-20/h7-16H,1-6H3
InChIKey
AABBXDCTZYFJCD-UHFFFAOYSA-N
Synonyms
9-(3-Bromophenyl)-3,6-di-tert-butyl-9H-carbazole
MFCD34705618
SCHEMBL16670952
SCHEMBL30034490
AABBXDCTZYFJCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
125.88
TPSA
4.93
LogP / Solubility
WLOGP
8.14
MLOGP
7.19
XLogP3
9
Consensus LogP
8.11
Log S (ESOL)
-8.1
Class (ESOL)
Insoluble
Log S (Ali)
-9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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)
0.41
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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