![CAS 307-24-4 Undecafluorohexanoic Acid (ca. 5mmol) [Ion-Pair Reagent for LC-MS] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5715-jpgcontextbwfzdgvyfhjvb3r8mjgxnjb8aw1hz2uvanblz3xoyzevadrmlzg5mjg1mtk5nzkwmzgvqtu3mtuuanbnfdzlyta2mmu5zge0yjfjmzu2njywnza1yjnlnmm5ztaxmjy1nja2zjdin2e0yjmyndyznzjjmza4ytg5oddmmzy.jpeg)
CAS RN: 307-24-4
Undecafluorohexanoic Acid (ca. 5mmol) [Ion-Pair Reagent for LC-MS]
- Product code: SSC-135623
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
307-24-4 / 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
Basic Information
CAS
307-24-4
Multi CAS
Yes
Molecular Formula
C6F11HO2
Molecular Weight
314.050000
Exact Mass
313.980089
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
InChIKey
PXUULQAPEKKVAH-UHFFFAOYSA-N
Physical Properties
Boiling Point
157 °C
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.48
TPSA
37.3
LogP / Solubility
WLOGP
3.17
MLOGP
2.81
XLogP3
3.6
Consensus LogP
3.19
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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)
-2.38
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
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