![CAS 887974-41-6 (6-[3-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-3-YL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887974-41-6.gif)
CAS RN: 887974-41-6
(6-[3-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-3-YL)METHANOL
- Product code: SSC-200493
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: 5g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
887974-41-6 / [6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
Basic Information
CAS
887974-41-6
Multi CAS
Yes
Molecular Formula
C13F3H10NO
Molecular Weight
253.220000
Exact Mass
253.071448
InChI
InChI=1S/C13H10F3NO/c14-13(15,16)11-3-1-2-10(6-11)12-5-4-9(8-18)7-17-12/h1-7,18H,8H2
InChIKey
JJXZWPYBPKWJBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.6
TPSA
33.12
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
2.5
Consensus LogP
2.88
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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