CAS RN: 1884420-79-4
2,7-Bis(4-bromophenyl)-9-hexyl-9H-carbazole
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.20260531 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB897631
1884420-79-4 / 2,7-bis(4-bromophenyl)-9-hexylcarbazole
Basic Information
CAS
1884420-79-4
Multi CAS
No
Molecular Formula
C30H27Br2N
Molecular Weight
561.300000
Exact Mass
561.048980
SMILES
CCCCCCN1C2=C(C=CC(=C2)C3=CC=C(C=C3)Br)C4=C1C=C(C=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C30H27Br2N/c1-2-3-4-5-18-33-29-19-23(21-6-12-25(31)13-7-21)10-16-27(29)28-17-11-24(20-30(28)33)22-8-14-26(32)15-9-22/h6-17,19-20H,2-5,18H2,1H3
InChIKey
TUJYKJYJTQPXJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
25
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
149.86
TPSA
4.93
LogP / Solubility
WLOGP
10.23
MLOGP
9.05
XLogP3
10.2
Consensus LogP
9.83
Log S (ESOL)
-9.87
Class (ESOL)
Insoluble
Log S (Ali)
-11.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.12
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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