![CAS 1204344-00-2 (R)-1,1,1-Trifluoro-3-[(4-methoxybenzyl)oxy]-2-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204344-00-2.gif)
CAS RN: 1204344-00-2
(R)-1,1,1-Trifluoro-3-[(4-methoxybenzyl)oxy]-2-propanol
- Product code: SSC-021430
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: 0.1g, 0.25g, 5g, 10g, 25g, 1g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
1204344-00-2 / (2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-ol
(R)-1,1,1-Trifluoro-3-[(4-methoxybenzyl)oxy]-2-propanol | MFCD31630370 | (2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-ol
Basic Information
CAS
1204344-00-2
Multi CAS
Yes
Molecular Formula
C11H13F3O3
Molecular Weight
250.210000
Exact Mass
250.081679
SMILES
COC1=CC=C(C=C1)COC[C@H](C(F)(F)F)O
InChI
InChI=1S/C11H13F3O3/c1-16-9-4-2-8(3-5-9)6-17-7-10(15)11(12,13)14/h2-5,10,15H,6-7H2,1H3/t10-/m1/s1
InChIKey
YDZVCRBHIKWKAU-SNVBAGLBSA-N
Synonyms
(R)-1,1,1-Trifluoro-3-[(4-methoxybenzyl)oxy]-2-propanol
MFCD31630370
(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-ol
C11H13F3O3
SCHEMBL309576
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.71
TPSA
38.69
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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