CAS RN: 1151816-79-3
3-Bromo-9-(4-chloro-phenyl)-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.20250702 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1151816-79-3
- Purity/Analytical Methods: >99.0%
1151816-79-3 / 3-bromo-9-(4-chlorophenyl)carbazole
3-bromo-9-(4-chlorophenyl)-9H-carbazole | 9H-Carbazole, 3-bromo-9-(4-chlorophenyl)- | 3-bromo-9-(4-chlorophenyl)carbazole
Basic Information
CAS
1151816-79-3
Multi CAS
No
Molecular Formula
C18H11BrClN
Molecular Weight
356.600000
Exact Mass
354.976340
SMILES
C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)Cl)C=CC(=C3)Br
InChI
InChI=1S/C18H11BrClN/c19-12-5-10-18-16(11-12)15-3-1-2-4-17(15)21(18)14-8-6-13(20)7-9-14/h1-11H
InChIKey
HBVDTVVYQFVEEU-UHFFFAOYSA-N
Synonyms
3-bromo-9-(4-chlorophenyl)-9H-carbazole
9H-Carbazole, 3-bromo-9-(4-chlorophenyl)-
3-bromo-9-(4-chlorophenyl)carbazole
MFCD30469066
SCHEMBL12546331
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
93.49
TPSA
4.93
LogP / Solubility
WLOGP
6.2
MLOGP
5.47
XLogP3
6.3
Consensus LogP
5.99
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
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)
-0.49
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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