CAS RN: 7206-76-0
2-Ethyl-2-phenylmalonamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260303 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7206-76-0
- Purity/Analytical Methods: >99.0%
7206-76-0 / 2-ethyl-2-phenylpropanediamide
Basic Information
CAS
7206-76-0
Multi CAS
Yes
Molecular Formula
C11H14N2O2
Molecular Weight
206.240000
Exact Mass
206.105528
InChI
InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKey
JFZHPFOXAAIUMB-UHFFFAOYSA-N
Physical Properties
Melting Point
201 to 226 °F (possible decomposition) (NTP, 1992)
Physical Description
2-phenyl-2-ethylmalondiamide is a white crystalline solid. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.8
TPSA
86.18
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
0.1
Consensus LogP
0.23
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.76
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
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