![CAS 2173554-89-5 1,3,5-triazine, 2-[1,1′-biphenyl]-3-yl-4-(8-chloro-1-dibenzofuranyl)-6-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173554-89-5.gif)
CAS RN: 2173554-89-5
1,3,5-triazine, 2-[1,1′-biphenyl]-3-yl-4-(8-chloro-1-dibenzofuranyl)-6-phenyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251118 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2173554-89-5
- Purity/Analytical Methods: >99.0%
2173554-89-5 / 2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
Basic Information
CAS
2173554-89-5
Multi CAS
No
Molecular Formula
C33H20ClN3O
Molecular Weight
510.000000
Exact Mass
509.129490
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=C6C(=CC=C5)OC7=C6C=C(C=C7)Cl
InChI
InChI=1S/C33H20ClN3O/c34-25-17-18-28-27(20-25)30-26(15-8-16-29(30)38-28)33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-14-7-13-23(19-24)21-9-3-1-4-10-21/h1-20H
InChIKey
LRZKBLCQNZSLPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
37
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
153.86
TPSA
51.81
LogP / Solubility
WLOGP
9.09
MLOGP
8.04
XLogP3
9
Consensus LogP
8.71
Log S (ESOL)
-9.19
Class (ESOL)
Insoluble
Log S (Ali)
-10.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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