CAS RN: 223666-07-7
N-Ethyl-7,10-dihydro-8-nitro-7-oxo-N-propyl-1,10-phenanthroline-3-carboxamide
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.20250429 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS223666-07-7
- Purity/Analytical Methods: >99.0%
223666-07-7 / N-ethyl-8-nitro-7-oxo-N-propyl-10H-1,10-phenanthroline-3-carboxamide
Basic Information
CAS
223666-07-7
Multi CAS
No
Molecular Formula
C18H18N4O4
Molecular Weight
354.400000
Exact Mass
354.132805
SMILES
CCCN(CC)C(=O)C1=CN=C2C(=C1)C=CC3=C2NC=C(C3=O)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O4/c1-3-7-21(4-2)18(24)12-8-11-5-6-13-16(15(11)19-9-12)20-10-14(17(13)23)22(25)26/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,23)
InChIKey
XUARBCHSPWMKRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
14
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.39
TPSA
109.2
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
