CAS RN: 4543-33-3
1,3,6,8-Tetranitrocarbazole (wetted with ca. 40% Water) (unit weight on dry weight basis)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 100mg | In stock | Shandong | Inquiry |
- Product code: ICTT0159
- Purity/Analytical Methods: >70.0%(HPLC)
4543-33-3 / 1,3,6,8-tetranitro-9H-carbazole
Basic Information
CAS
4543-33-3
Multi CAS
No
Molecular Formula
C12H5N5O8
Molecular Weight
347.200000
Exact Mass
347.013812
InChI
InChI=1S/C12H5N5O8/c18-14(19)5-1-7-8-2-6(15(20)21)4-10(17(24)25)12(8)13-11(7)9(3-5)16(22)23/h1-4,13H
InChIKey
JUSWGNJYSBSOFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
13
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
82.42
TPSA
188.35
LogP / Solubility
WLOGP
2.95
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
