[email protected]
CAS 16617-00-8 2,4,6-TRIS(CHLORODIFLUOROMETHYL)-1,3,5-TRIAZINE molecular structure lightbox
CAS RN: 16617-00-8

2,4,6-TRIS(CHLORODIFLUOROMETHYL)-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.PackageAvailabilityLead TimeInquiry
Batchno.20250406 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS16617-00-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

16617-00-8 / 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine

Standard CAS: 16617-00-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16617-00-8
Multi CAS
No
Molecular Formula
C6Cl3F6N3
Molecular Weight
334.400000
Exact Mass
332.906199
SMILES
C1(=NC(=NC(=N1)C(F)(F)Cl)C(F)(F)Cl)C(F)(F)Cl
InChI
InChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15
InChIKey
MYPGWKSSWURUMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.07
TPSA
38.67

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.5
Consensus LogP
3.51
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-2.11

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us