![CAS 1663490-99-0 9H-Carbazole, 9-(4”-chloro[1,1′:4′,1”-terphenyl]-4-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1663490-99-0.gif)
CAS RN: 1663490-99-0
9H-Carbazole, 9-(4”-chloro[1,1′:4′,1”-terphenyl]-4-yl)-
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.20260419 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1663490-99-0
- Purity/Analytical Methods: >99.0%
1663490-99-0 / 9-[4-[4-(4-chlorophenyl)phenyl]phenyl]carbazole
Basic Information
CAS
1663490-99-0
Multi CAS
No
Molecular Formula
C30H20ClN
Molecular Weight
429.900000
Exact Mass
429.128427
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H20ClN/c31-25-17-13-23(14-18-25)21-9-11-22(12-10-21)24-15-19-26(20-16-24)32-29-7-3-1-5-27(29)28-6-2-4-8-30(28)32/h1-20H
InChIKey
LCXMYIQGDXSMIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
31
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
136.66
TPSA
4.93
LogP / Solubility
WLOGP
8.77
MLOGP
7.75
XLogP3
8.9
Consensus LogP
8.47
Log S (ESOL)
-8.55
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.09
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)
0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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