![CAS 94192-18-4 3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94192-18-4.gif)
CAS RN: 94192-18-4
3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOIC ACID
- Product code: SSC-208754
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 | Beijing | Inquiry |
94192-18-4 / 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Basic Information
CAS
94192-18-4
Multi CAS
No
Molecular Formula
C12H12N2O4
Molecular Weight
248.230000
Exact Mass
248.079707
InChI
InChI=1S/C12H12N2O4/c1-17-9-4-2-8(3-5-9)12-13-10(18-14-12)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey
WRFNXLGYERRRTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.24
TPSA
85.45
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
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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