CAS RN: 905273-57-6
(6-(trifluoroMethyl)pyridine-2,3-diyl)diMethanol
- Product code: SSC-203035
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
905273-57-6 / [2-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
Basic Information
CAS
905273-57-6
Multi CAS
No
Molecular Formula
C8F3H8NO2
Molecular Weight
207.150000
Exact Mass
207.050713
InChI
InChI=1S/C8H8F3NO2/c9-8(10,11)7-2-1-5(3-13)6(4-14)12-7/h1-2,13-14H,3-4H2
InChIKey
MHKAMIPMNVQWLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.08
TPSA
53.35
LogP / Solubility
WLOGP
1.08
MLOGP
0.96
Consensus LogP
0.68
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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