CAS RN: 137780-73-5
benzyl 9H-carbazole-9-carbodithioate
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.20260318 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS137780-73-5
- Purity/Analytical Methods: >99.0%
137780-73-5 / benzyl carbazole-9-carbodithioate
Basic Information
CAS
137780-73-5
Multi CAS
No
Molecular Formula
C20H15NS2
Molecular Weight
333.500000
Exact Mass
333.064592
SMILES
C1=CC=C(C=C1)CSC(=S)N2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C20H15NS2/c22-20(23-14-15-8-2-1-3-9-15)21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21/h1-13H,14H2
InChIKey
DFLKGYBBYMCANE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
105.18
TPSA
4.93
LogP / Solubility
WLOGP
5.86
MLOGP
5.17
XLogP3
6.3
Consensus LogP
5.78
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
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
No
Log Kp (skin permeation)
-0.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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