CAS RN: 2173555-54-7
1,3,5-Triazine, 2-(7-chloro-1-dibenzofuranyl)-4,6-diphenyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2173555-54-7
- Purity/Analytical Methods: >99.0%
2173555-54-7 / 2-(7-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
Basic Information
CAS
2173555-54-7
Multi CAS
No
Molecular Formula
C27H16ClN3O
Molecular Weight
433.900000
Exact Mass
433.098190
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=C(C=C(C=C5)Cl)OC4=CC=C3)C6=CC=CC=C6
InChI
InChI=1S/C27H16ClN3O/c28-19-14-15-20-23(16-19)32-22-13-7-12-21(24(20)22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H
InChIKey
ZKMYUKMSWYUXIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
31
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
128.42
TPSA
51.81
LogP / Solubility
WLOGP
7.43
MLOGP
6.56
XLogP3
7.3
Consensus LogP
7.1
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
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)
-0.09
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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