CAS RN: 890653-53-9
3-Bromo-9-(3-methylphenyl)-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.20251013 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS890653-53-9
- Purity/Analytical Methods: >99.0%
890653-53-9 / 3-bromo-9-(3-methylphenyl)carbazole
Basic Information
CAS
890653-53-9
Multi CAS
No
Molecular Formula
BC19H14Rn
Molecular Weight
336.200000
Exact Mass
335.030960
InChI
InChI=1S/C19H14BrN/c1-13-5-4-6-15(11-13)21-18-8-3-2-7-16(18)17-12-14(20)9-10-19(17)21/h2-12H,1H3
InChIKey
BTODXFDAJAELSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
93.22
TPSA
4.93
LogP / Solubility
WLOGP
5.85
MLOGP
5.17
XLogP3
6.1
Consensus LogP
5.71
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
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)
-0.61
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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