CAS RN: 205701-85-5
RWJ-51204
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.20250806 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205701-85-5
- Purity/Analytical Methods: >99.0%
205701-85-5 / 5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
Basic Information
CAS
205701-85-5
Multi CAS
No
Molecular Formula
C21H19F2N3O3
Molecular Weight
399.400000
Exact Mass
399.139448
SMILES
CCOCN1C2=C(C=CC(=C2)F)N3C1=C(C(=O)CC3)C(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C21H19F2N3O3/c1-2-29-12-26-17-11-13(22)7-8-16(17)25-10-9-18(27)19(21(25)26)20(28)24-15-6-4-3-5-14(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,28)
InChIKey
VQOQDABVGWLROX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.4
TPSA
61.88
LogP / Solubility
WLOGP
3.41
MLOGP
3.02
XLogP3
3.2
Consensus LogP
3.21
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74
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
3
![CAS 20571-15-7 spiro[2.3]hexan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20571-15-7.gif)
