CAS RN: 30530-43-9
2,4-DIAMINO-6-(3-FLUOROPHENYL)-1,3,5-TRIAZINE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS30530-43-9
- Purity/Analytical Methods: >99.0%
30530-43-9 / 6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
30530-43-9
Multi CAS
No
Molecular Formula
C9FH8N5
Molecular Weight
205.190000
Exact Mass
205.076373
InChI
InChI=1S/C9H8FN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
OHGKSRVADPIOLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.05
TPSA
90.71
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
1.7
Consensus LogP
1.09
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
1-Methoxyindoleacetonitrile
- CAS RN: 30536-48-2
- Product Code: starshine_CAS30536-48-2
- Purity/Analytical method: >99.0%
-
-
-
clanobutin
- CAS RN: 30544-61-7
- Product Code: starshine_CAS30544-61-7
- Purity/Analytical method: >99.0%
