CAS RN: 59872-84-3
PENTAFLUOROPROPIONALDEHYDE METHYL HEMIACETAL
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.20250406 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS59872-84-3
- Purity/Analytical Methods: >99.0%
59872-84-3 / 2,2,3,3,3-pentafluoro-1-methoxypropan-1-ol
Basic Information
CAS
59872-84-3
Multi CAS
Yes
Molecular Formula
C4F5H5O2
Molecular Weight
180.070000
Exact Mass
180.020970
InChI
InChI=1S/C4H5F5O2/c1-11-2(10)3(5,6)4(7,8)9/h2,10H,1H3
InChIKey
FHGKXFQZUUSHPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.02
TPSA
29.46
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3
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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