CAS RN: 943551-28-8
(2-chloro-5-(trifluoroMethyl)pyridin-3-yl)Methanol
- Product code: SSC-209074
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
943551-28-8 / [2-chloro-5-(trifluoromethyl)-3-pyridinyl]methanol
Basic Information
CAS
943551-28-8
Multi CAS
No
Molecular Formula
C7H5CLF3NO
Molecular Weight
211.570000
Exact Mass
211.001176
InChI
InChI=1S/C7H5ClF3NO/c8-6-4(3-13)1-5(2-12-6)7(9,10)11/h1-2,13H,3H2
InChIKey
ITWQFBNIOHFHFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.17
TPSA
33.12
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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