CAS RN: 550-28-7
amisometradine
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS550-28-7
- Purity/Analytical Methods: >99.0%
550-28-7 / 6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
Basic Information
CAS
550-28-7
Multi CAS
Yes
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
InChI
InChI=1S/C9H13N3O2/c1-6(2)5-12-7(10)4-8(13)11(3)9(12)14/h4H,1,5,10H2,2-3H3
InChIKey
FXNYSZHYMGWWEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.17
TPSA
70.02
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.26
XLogP3
0.2
Consensus LogP
-0.12
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-4.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-PENTANOYLBENZOIC ACID
- CAS RN: 550-37-8
- Product Code: starshine_CAS550-37-8
- Purity/Analytical method: >99.0%
-
angustifoline
- CAS RN: 550-43-6
- Product Code: starshine_CAS550-43-6
- Purity/Analytical method: >99.0%
-
PROPOXYCAINE HYDROCHLORIDE (200 MG)
- CAS RN: 550-83-4
- Product Code: starshine_CAS550-83-4
- Purity/Analytical method: >99.0%
-
-
