![CAS 1624260-16-7 7,7-difluorotetrahydropyrrolo[1,2-a]pyrazine-1,3(2H,4H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62670946.gif)
CAS RN: 1624260-16-7
7,7-difluorotetrahydropyrrolo[1,2-a]pyrazine-1,3(2H,4H)-dione
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1624260-16-7
- Purity/Analytical Methods: >99.0%
1624260-16-7 / 7,7-difluoro-4,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,3-dione
Basic Information
CAS
1624260-16-7
Multi CAS
No
Molecular Formula
C7H8F2N2O2
Molecular Weight
190.150000
Exact Mass
190.055384
SMILES
C1C2C(=O)NC(=O)CN2CC1(F)F
InChI
InChI=1S/C7H8F2N2O2/c8-7(9)1-4-6(13)10-5(12)2-11(4)3-7/h4H,1-3H2,(H,10,12,13)
InChIKey
FRMLTAJPBIYSSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.07
TPSA
49.41
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.57
Consensus LogP
-0.41
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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