CAS RN: 1550-24-9
7-CHLOROPERFLUOROHEPTANOIC ACID
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.20250219 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1550-24-9
- Purity/Analytical Methods: >99.0%
1550-24-9 / 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
Basic Information
CAS
1550-24-9
Multi CAS
No
Molecular Formula
C7HClF12O2
Molecular Weight
380.510000
Exact Mass
379.947345
SMILES
C(=O)(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HClF12O2/c8-7(19,20)6(17,18)5(15,16)4(13,14)3(11,12)2(9,10)1(21)22/h(H,21,22)
InChIKey
WMFYUMIVMKSLSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.17
TPSA
37.3
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.5
Consensus LogP
4.06
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14
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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