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CAS 30508-78-2 2,4-DIAMINO-6-[3-(TRIFLUOROMETHYL)PHENYL]-1,3,5-TRIAZINE molecular structure lightbox
CAS RN: 30508-78-2

2,4-DIAMINO-6-[3-(TRIFLUOROMETHYL)PHENYL]-1,3,5-TRIAZINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250110 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250803 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS30508-78-2
  • Purity/Analytical Methods: >99.0%
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30508-78-2 / 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

Standard CAS: 30508-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30508-78-2
Multi CAS
No
Molecular Formula
C10F3H8N5
Molecular Weight
255.200000
Exact Mass
255.073180
InChI
InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
InChIKey
YMIFDDZCSSDQHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.09
TPSA
90.71

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
2.7
Consensus LogP
1.98
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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