![CAS 60646-30-2 (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1521-jpgcontextbwfzdgvyfhjvb3r8nda0nzh8aw1hz2uvanblz3xozdcvagrklzg5mzi0odexnze0odyvvde1mjeuanbnfgvhmzjjzwvlm2yxndbkyjqxodfkmtm3ymyyyjc4njdmztrkm2u3zmjlnmq2nmjmmdjlywfioty4yty0mtdln2q.jpeg)
CAS RN: 60646-30-2
(S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR]
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251102 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-169271
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 | Shanghai | Inquiry |
60646-30-2 / 1-anthracen-9-yl-2,2,2-trifluoroethanol
Basic Information
CAS
60646-30-2
Multi CAS
Yes
Molecular Formula
C16F3H11O
Molecular Weight
276.250000
Exact Mass
276.076199
InChI
InChI=1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H
InChIKey
ICZHJFWIOPYQCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.47
TPSA
20.23
LogP / Solubility
WLOGP
4.59
MLOGP
4.05
XLogP3
5
Consensus LogP
4.55
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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