![CAS 691868-81-2 2,4-BIS(TRIFLUOROMETHYL)IMIDAZO[1,2-A][1,8]NAPHTHYRIDINE-8-CARBOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8389530.gif)
CAS RN: 691868-81-2
2,4-BIS(TRIFLUOROMETHYL)IMIDAZO[1,2-A][1,8]NAPHTHYRIDINE-8-CARBOHYDRAZIDE
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.20260322 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS691868-81-2
- Purity/Analytical Methods: >99.0%
691868-81-2 / 2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carbohydrazide
Basic Information
CAS
691868-81-2
Multi CAS
No
Molecular Formula
C13F6H7N5O
Molecular Weight
363.220000
Exact Mass
363.055479
InChI
InChI=1S/C13H7F6N5O/c14-12(15,16)6-3-8(13(17,18)19)22-10-5(6)1-2-9-21-7(4-24(9)10)11(25)23-20/h1-4H,20H2,(H,23,25)
InChIKey
UITZKGDNMRCOKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
13
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.15
TPSA
85.31
LogP / Solubility
WLOGP
2.52
MLOGP
2.24
XLogP3
3
Consensus LogP
2.59
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-3.14
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
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