![CAS 1595889-36-3 1-[5-(Trifluoromethyl)-2-pyridyl]-1-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1595889-36-3.gif)
CAS RN: 1595889-36-3
1-[5-(Trifluoromethyl)-2-pyridyl]-1-propanol
- Product code: SSC-067544
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g, 25g, 1000g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 4 In Stock | Beijing | Inquiry |
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 10g | -- | 0 Out of Stock | Beijing | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
1595889-36-3 / 1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-ol
Basic Information
CAS
1595889-36-3
Multi CAS
No
Molecular Formula
C9H10F3NO
Molecular Weight
205.180000
Exact Mass
205.071448
SMILES
CCC(C1=NC=C(C=C1)C(F)(F)F)O
InChI
InChI=1S/C9H10F3NO/c1-2-8(14)7-4-3-6(5-13-7)9(10,11)12/h3-5,8,14H,2H2,1H3
InChIKey
KCJFLSAFBXHFQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.49
TPSA
33.12
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
1.8
Consensus LogP
2.19
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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