CAS RN: 20583-66-8
1,1,1,5,5,6,6,7,7,7-DECAFLUORO-2,4-HEPTANEDIONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20583-66-8
- Purity/Analytical Methods: >99.0%
20583-66-8 / 1,1,1,5,5,6,6,7,7,7-decafluoroheptane-2,4-dione
Basic Information
CAS
20583-66-8
Multi CAS
No
Molecular Formula
C7H2F10O2
Molecular Weight
308.070000
Exact Mass
307.989511
SMILES
C(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C7H2F10O2/c8-4(9,6(13,14)7(15,16)17)2(18)1-3(19)5(10,11)12/h1H2
InChIKey
SUORUQZBFOQDGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
36.63
TPSA
34.14
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
3.4
Consensus LogP
2.96
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
