![CAS 206055-86-9 [3-(4-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/206055-86-9.gif)
CAS RN: 206055-86-9
[3-(4-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHANOL
- Product code: SSC-097151
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 | Hong Kong | Inquiry |
206055-86-9 / [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol
Basic Information
CAS
206055-86-9
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
COC1=CC=C(C=C1)C2=NOC(=C2)CO
InChI
InChI=1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3
InChIKey
SROFDUACOHNMJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.41
TPSA
55.49
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.2
Consensus LogP
1.55
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
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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