CAS RN: 30894-89-4
2-chloro-4,6-bis(trichloroMethyl)-1,3,5-triazine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250716 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS30894-89-4
- Purity/Analytical Methods: >99.0%
30894-89-4 / 2-chloro-4,6-bis(trichloromethyl)-1,3,5-triazine
Basic Information
CAS
30894-89-4
Multi CAS
No
Molecular Formula
C5CL7N3
Molecular Weight
350.200000
Exact Mass
348.788241
InChI
InChI=1S/C5Cl7N3/c6-3-14-1(4(7,8)9)13-2(15-3)5(10,11)12
InChIKey
HCCUPBDHYGXBLZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
3
Molar refractivity
63.31
TPSA
38.67
LogP / Solubility
WLOGP
4.18
MLOGP
3.7
XLogP3
4.3
Consensus LogP
4.06
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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