CAS RN: 1622440-54-3
Dibenzothiophene, 2-bromo-7-chloro-
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.20260512 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1622440-54-3
- Purity/Analytical Methods: >99.0%
1622440-54-3 / 2-bromo-7-chlorodibenzothiophene
Basic Information
CAS
1622440-54-3
Multi CAS
No
Molecular Formula
C12H6BrClS
Molecular Weight
297.600000
Exact Mass
295.906210
SMILES
C1=CC2=C(C=C1Cl)SC3=C2C=C(C=C3)Br
InChI
InChI=1S/C12H6BrClS/c13-7-1-4-11-10(5-7)9-3-2-8(14)6-12(9)15-11/h1-6H
InChIKey
DSKGXITWZMUYTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
72.04
TPSA
28.2000
LogP / Solubility
WLOGP
5.47
MLOGP
4.83
XLogP3
5.6
Consensus LogP
5.3
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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