CAS RN: 1838679-86-9
3,6-Dibromo-9-(tetrahydro-2H-pyran-2-yl)-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.20250427 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1838679-86-9
- Purity/Analytical Methods: >99.0%
1838679-86-9 / 3,6-dibromo-9-(oxan-2-yl)carbazole
Basic Information
CAS
1838679-86-9
Multi CAS
No
Molecular Formula
C17H15Br2NO
Molecular Weight
409.100000
Exact Mass
408.949990
SMILES
C1CCOC(C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C17H15Br2NO/c18-11-4-6-15-13(9-11)14-10-12(19)5-7-16(14)20(15)17-3-1-2-8-21-17/h4-7,9-10,17H,1-3,8H2
InChIKey
XYEABDSJCPVDOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
93.68
TPSA
14.16
LogP / Solubility
WLOGP
6.02
MLOGP
5.32
XLogP3
5.5
Consensus LogP
5.61
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
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)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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