CAS RN: 1041143-98-9
3,6-Difluorocarbazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250225 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-005886
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
1041143-98-9 / 3,6-difluoro-9H-carbazole
3,6-Difluoro-9H-carbazole | RefChem:487556 | 988-211-2
Basic Information
CAS
1041143-98-9
Multi CAS
No
Molecular Formula
C12H7F2N
Molecular Weight
203.190000
Exact Mass
203.054656
SMILES
C1=CC2=C(C=C1F)C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C12H7F2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey
WIBSYPXJJKRRRB-UHFFFAOYSA-N
Synonyms
3,6-Difluoro-9H-carbazole
RefChem:487556
988-211-2
3,6-Difluorocarbazole
MFCD24621843
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.72
TPSA
15.79
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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