![CAS 78573-45-2 3-[3-(Trifluoromethyl)phenyl]-1-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3095-jpgcontextbwfzdgvyfhjvb3r8mju1mzf8aw1hz2uvanblz3xoztavadvmlzg5mzi2ntk1nja0nzgvvdmwotuuanbnfdfjotmyodiymdljmmi4nza0ndc0njuyytc3yjuwzde0nzvkodkwzgvjztk2mzyyytfmzdc1nzyzzjg0mzdkyzg.jpeg)
CAS RN: 78573-45-2
3-[3-(Trifluoromethyl)phenyl]-1-propanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250824 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-187937
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, 100g
- 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.
78573-45-2 / 1-[4-(trifluoromethyl)phenyl]propan-1-ol
Basic Information
CAS
78573-45-2
Multi CAS
Yes
Molecular Formula
C10F3H11O
Molecular Weight
204.190000
Exact Mass
204.076199
InChI
InChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKey
DSPWVWRWAPFFNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.69
TPSA
20.23
LogP / Solubility
WLOGP
3.15
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.91
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
