CAS RN: 1018297-63-6
3-(4-fluorophenyl)-5-Methyl-4-IsoxazoleMethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-002856
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 |
1018297-63-6 / [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol
(3-(4-Fluorophenyl)-5-methylisoxazol-4-yl)methanol | [3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol | MFCD10008830
Basic Information
CAS
1018297-63-6
Multi CAS
No
Molecular Formula
C11H10FNO2
Molecular Weight
207.200000
Exact Mass
207.069557
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)F)CO
InChI
InChI=1S/C11H10FNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3
InChIKey
YTPVTPNVCHCMAT-UHFFFAOYSA-N
Synonyms
(3-(4-Fluorophenyl)-5-methylisoxazol-4-yl)methanol
[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol
MFCD10008830
4-Isoxazolemethanol, 3-(4-fluorophenyl)-5-methyl-
[3-(4-Fluoro-phenyl)-5-methyl-isoxazole-4-yl]methanol
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.56
TPSA
46.26
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
1.6
Consensus LogP
1.96
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.36
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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