CAS RN: 2173554-85-1
2-(8-chloro-1-dibenzofuranyl)-4,6-diphenyl-1,3,5-Triazine
- Product code: SSC-104877
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2173554-85-1 / 2-(8-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
Basic Information
CAS
2173554-85-1
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=C4C(=CC=C3)OC5=C4C=C(C=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C27H16ClN3O/c28-19-14-15-22-21(16-19)24-20(12-7-13-23(24)32-22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18/h1-16H
InChIKey
KBYZBOKBZLTSPI-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
Customers Also Viewed
-
![CAS 2173554-89-5 1,3,5-triazine, 2-[1,1′-biphenyl]-3-yl-4-(8-chloro-1-dibenzofuranyl)-6-phenyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,3,5-triazine, 2-[1,1′-biphenyl]-3-yl-4-(8-chloro-1-dibenzofuranyl)-6-phenyl-
- CAS RN: 2173554-89-5
- Product Code: starshine_CAS2173554-89-5
- Purity/Analytical method: >99.0%
-
Dibenzofuran, 1-bromo-7-chloro-
- CAS RN: 2173555-52-5
- Product Code: starshine_CAS2173555-52-5
- Purity/Analytical method: >99.0%
-
1,3,5-Triazine, 2-(7-chloro-1-dibenzofuranyl)-4,6-diphenyl-
- CAS RN: 2173555-54-7
- Product Code: starshine_CAS2173555-54-7
- Purity/Analytical method: >99.0%
-
Carbamic acid, N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]-, cyclohexyl ester
- CAS RN: 2173556-69-7
- Product Code: starshine_CAS2173556-69-7
- Purity/Analytical method: >99.0%
-
-
lithium(1+) (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylate
- CAS RN: 2173637-01-7
- Product Code: SSC-104886
![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 2173556-69-7 Carbamic acid, N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]-, cyclohexyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173556-69-7.png)
![CAS 2173637-01-7 lithium(1+) (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173637-01-7.png)