CAS RN: 339576-55-5
9-Benzyl-3-bromo-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.20251122 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB5461
- Purity/Analytical Methods: >98.0%(GC)
339576-55-5 / 9-benzyl-3-bromocarbazole
Basic Information
CAS
339576-55-5
Multi CAS
Yes
Molecular Formula
BC19H14Rn
Molecular Weight
336.200000
Exact Mass
335.030960
InChI
InChI=1S/C19H14BrN/c20-15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKey
NMNQVRIUUBFICK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
92.69
TPSA
4.93
LogP / Solubility
WLOGP
5.61
MLOGP
4.95
XLogP3
5.6
Consensus LogP
5.39
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
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
No
Log Kp (skin permeation)
-0.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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