CAS RN: 33693-04-8

TERBUMETON

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  • Product code: starshine_CAS33693-04-8
  • Purity/Analytical Methods: >99.0%
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33693-04-8 / 2-N-tert-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

Standard CAS: 33693-04-8 Multi CAS: No

Basic Information

CAS
33693-04-8
Multi CAS
No
Molecular Formula
C10H19N5O
Molecular Weight
225.290000
Exact Mass
225.158960
InChI
InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
InChIKey
BCQMBFHBDZVHKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
63.92
TPSA
71.96

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
3.1
Consensus LogP
1.99
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

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

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