CAS RN: 1800022-01-8
N- (2-chlorophenyl) -7-phenyl-7H-benzocarbazole-9-amine
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.20260226 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1800022-01-8
- Purity/Analytical Methods: >99.0%
1800022-01-8 / N-(2-chlorophenyl)-7-phenyl-7H-benzo[a]carbazol-9-amine
Basic Information
CAS
1800022-01-8
Multi CAS
No
Molecular Formula
C28H19ClN2
Molecular Weight
418.900000
Exact Mass
418.123676
SMILES
C1=CC=C(C=C1)C2C=C(C=C3C2=C4C=CC5=CC=CC=C5C4=N3)NC6=CC=CC=C6Cl
InChI
InChI=1S/C28H19ClN2/c29-24-12-6-7-13-25(24)30-20-16-23(18-8-2-1-3-9-18)27-22-15-14-19-10-4-5-11-21(19)28(22)31-26(27)17-20/h1-17,23,30H
InChIKey
UZGILIFQIQIZLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
22
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
128.56
TPSA
24.39
LogP / Solubility
WLOGP
5.95
MLOGP
5.27
XLogP3
6.6
Consensus LogP
5.94
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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