CAS RN: 1443049-83-9
2-(3′-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-055487
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
1443049-83-9 / 2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
Basic Information
CAS
1443049-83-9
Multi CAS
No
Molecular Formula
C27H18ClN3
Molecular Weight
419.900000
Exact Mass
419.118925
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C27H18ClN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H
InChIKey
MMAIMCOMSPMTKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
126.58
TPSA
38.67
LogP / Solubility
WLOGP
7.19
MLOGP
6.36
XLogP3
7.6
Consensus LogP
7.05
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
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)
-0.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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2-(4′-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine
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2-(3′-Chlorobiphenyl-4-yl)-4,6-diphenyl-1,3,5-triazine
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2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
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