![CAS 2074632-09-8 1,3,5-Triazine, 2-chloro-4-[4-(4-dibenzofuranyl)phenyl]-6-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2074632-09-8.png)
CAS RN: 2074632-09-8
1,3,5-Triazine, 2-chloro-4-[4-(4-dibenzofuranyl)phenyl]-6-phenyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2074632-09-8
- Purity/Analytical Methods: >99.0%
2074632-09-8 / 2-chloro-4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
Basic Information
CAS
2074632-09-8
Multi CAS
No
Molecular Formula
C27H16ClN3O
Molecular Weight
433.900000
Exact Mass
433.098190
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56
InChI
InChI=1S/C27H16ClN3O/c28-27-30-25(18-7-2-1-3-8-18)29-26(31-27)19-15-13-17(14-16-19)20-10-6-11-22-21-9-4-5-12-23(21)32-24(20)22/h1-16H
InChIKey
QODQTZSWXYTAMS-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
7.6
Consensus LogP
7.2
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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![CAS 2077945-91-4 (5Z,5’Z)-5,5′-((7,7′-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl))bis(methanylylidene))bis(3-ethyl-2-thioxothiazolidin-4-one) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2077945-91-4.png)