![CAS 1835683-68-5 2-[1,1′-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1835683-68-5.gif)
CAS RN: 1835683-68-5
2-[1,1′-Biphenyl]-2-yl-4-chloro-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.20250723 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1835683-68-5
- Purity/Analytical Methods: >99.0%
1835683-68-5 / 2-chloro-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
Basic Information
CAS
1835683-68-5
Multi CAS
No
Molecular Formula
C21H14ClN3
Molecular Weight
343.800000
Exact Mass
343.087625
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NC(=N3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C21H14ClN3/c22-21-24-19(16-11-5-2-6-12-16)23-20(25-21)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H
InChIKey
HTWLQPULKVXSBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
101.14
TPSA
38.67
LogP / Solubility
WLOGP
5.53
MLOGP
4.88
XLogP3
5.9
Consensus LogP
5.44
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364
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