CAS RN: 5579-89-5
Nifursemizone
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
- Product code: starshine_CAS5579-89-5
- Purity/Analytical Methods: >99.0%
5579-89-5 / 1-ethyl-1-[(5-nitrofuran-2-yl)methylideneamino]urea
Basic Information
CAS
5579-89-5
Multi CAS
Yes
Molecular Formula
C8H10N4O4
Molecular Weight
226.190000
Exact Mass
226.070205
InChI
InChI=1S/C8H10N4O4/c1-2-11(8(9)13)10-5-6-3-4-7(16-6)12(14)15/h3-5H,2H2,1H3,(H2,9,13)/b10-5+
InChIKey
JGPNCLKRECLYTO-BJMVGYQFSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.92
TPSA
114.97
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
0.7
Consensus LogP
0.81
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.44
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
Customers Also Viewed
-
3,5-DIIODO-4-PYRIDONE
- CAS RN: 5579-93-1
- Product Code: starshine_CAS5579-93-1
- Purity/Analytical method: >99.0%
-
-
-
3,3′-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide]
- CAS RN: 5580-57-4
- Product Code: starshine_CAS5580-57-4
- Purity/Analytical method: >99.0%
-
-
![CAS 5580-57-4 3,3′-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(3-chloro-o-tolyl)benzamide] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5580-57-4.gif)
