CAS RN: 949-42-8
2-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
- Product code: SSC-210093
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 | Hong Kong | Inquiry |
949-42-8 / 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
Basic Information
CAS
949-42-8
Multi CAS
No
Molecular Formula
C6H3CL6N3
Molecular Weight
329.800000
Exact Mass
328.842863
InChI
InChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3
InChIKey
LETDRANQSOEVCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
63.04
TPSA
38.67
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
3.7
Consensus LogP
3.64
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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
No
Log Kp (skin permeation)
-2.01
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
Customers Also Viewed
-
2-Chloro-4,6-bis(9,9-dimethyl-9H-fluoren-2-yl)-1,3,5-triazine
- CAS RN: 1459162-69-6
- Product Code: SSC-057079
-
-
-
2-(2-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
- CAS RN: 77989-15-2
- Product Code: SSC-187528
-
-
