CAS RN: 184845-66-7
9H-Carbazole, 9-(3-chloropropyl)-3-nitro-
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.20260308 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS184845-66-7
- Purity/Analytical Methods: >99.0%
184845-66-7 / 9-(3-chloropropyl)-3-nitrocarbazole
Basic Information
CAS
184845-66-7
Multi CAS
No
Molecular Formula
C15H13ClN2O2
Molecular Weight
288.730000
Exact Mass
288.066555
SMILES
C1=CC=C2C(=C1)C3=C(N2CCCCl)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H13ClN2O2/c16-8-3-9-17-14-5-2-1-4-12(14)13-10-11(18(19)20)6-7-15(13)17/h1-2,4-7,10H,3,8-9H2
InChIKey
CJLTVLFIGMLQIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
13
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
81.44
TPSA
48.07
LogP / Solubility
WLOGP
4.33
MLOGP
3.82
XLogP3
4
Consensus LogP
4.05
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble
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)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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