CAS RN: 1357066-21-7
10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-10H -phenoxazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250221 | 10g | Out of stock | Inquiry |
- Product code: starshine_CAS1357066-21-7
- Purity/Analytical Methods: >99.0%
1357066-21-7 / 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
Basic Information
CAS
1357066-21-7
Multi CAS
No
Molecular Formula
C27H18N4O
Molecular Weight
414.500000
Exact Mass
414.148061
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6
InChI
InChI=1S/C27H18N4O/c1-3-11-19(12-4-1)25-28-26(20-13-5-2-6-14-20)30-27(29-25)31-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)31/h1-18H
InChIKey
ITKOYYRLOGYUQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
30
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
125.46
TPSA
51.14
LogP / Solubility
WLOGP
6.78
MLOGP
5.99
XLogP3
6.5
Consensus LogP
6.42
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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