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CAS RN: 371157-17-4
5-(3,4-DIMETHOXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
- Product code: SSC-144448
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 |
371157-17-4 / ethyl 5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
Basic Information
CAS
371157-17-4
Multi CAS
No
Molecular Formula
C14H15NO5
Molecular Weight
277.270000
Exact Mass
277.095023
InChI
InChI=1S/C14H15NO5/c1-4-19-14(16)10-8-12(20-15-10)9-5-6-11(17-2)13(7-9)18-3/h5-8H,4H2,1-3H3
InChIKey
AZFKKZBMCTVTSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
71
TPSA
70.79
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 371171-04-9 7-(3,4-diMethoxyphenyl)iMidazo[1,2-c]pyriMidin-5-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/371171-04-9(2).gif)
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