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: 25g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
335-76-2 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
Basic Information
CAS
335-76-2
Multi CAS
No
Molecular Formula
C10F19HO2
Molecular Weight
514.080000
Exact Mass
513.967314
InChI
InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
InChIKey
PCIUEQPBYFRTEM-UHFFFAOYSA-N
Physical Properties
Melting Point
171 to 174 °F (NTP, 1992)
Boiling Point
424 °F at 740 mmHg (NTP, 1992)
Density
1.707 at 68 °F (NTP, 1992) - Denser than water; will sink
Physical Description
Perfluorodecanoic acid is a liquid. (NTP, 1992)
Liquid; [CAMEO] White powder
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.27
TPSA
37.3
LogP / Solubility
WLOGP
5.72
MLOGP
5.07
XLogP3
6.3
Consensus LogP
5.7
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
