![CAS 1472729-25-1 2-Chloro-4-dibenzofuran-4-yl-6-phenyl-[1,3,5]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1472729-25-1.gif)
CAS RN: 1472729-25-1
2-Chloro-4-dibenzofuran-4-yl-6-phenyl-[1,3,5]triazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1472729-25-1
- Purity/Analytical Methods: >99.0%
1472729-25-1 / 2-chloro-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
Basic Information
CAS
1472729-25-1
Multi CAS
No
Molecular Formula
C21H12ClN3O
Molecular Weight
357.800000
Exact Mass
357.066890
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=CC4=C3OC5=CC=CC=C45
InChI
InChI=1S/C21H12ClN3O/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-12H
InChIKey
NKLKYZYRMGGYGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
102.99
TPSA
51.81
LogP / Solubility
WLOGP
5.76
MLOGP
5.09
XLogP3
6
Consensus LogP
5.62
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
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)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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