CAS RN: 1427556-53-3
3-Dibenzothiophenamine, N-phenyl-
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.20251008 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1427556-53-3
- Purity/Analytical Methods: >99.0%
1427556-53-3 / N-phenyldibenzothiophen-3-amine
Basic Information
CAS
1427556-53-3
Multi CAS
No
Molecular Formula
C18H13NS
Molecular Weight
275.400000
Exact Mass
275.076871
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C=C2)C4=CC=CC=C4S3
InChI
InChI=1S/C18H13NS/c1-2-6-13(7-3-1)19-14-10-11-16-15-8-4-5-9-17(15)20-18(16)12-14/h1-12,19H
InChIKey
DUGUHFXDUFGEAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
89.06
TPSA
12.03
LogP / Solubility
WLOGP
5.8
MLOGP
5.11
XLogP3
5.9
Consensus LogP
5.6
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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