CAS RN: 923710-57-0
5-ETHOXY-2-THIEN-2-YL-1,3-OXAZOLE-4-CARBOXYLIC ACID
- Product code: SSC-206013
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
923710-57-0 / 5-ethoxy-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
Basic Information
CAS
923710-57-0
Multi CAS
No
Molecular Formula
C10H9NO4S
Molecular Weight
239.250000
Exact Mass
239.025229
InChI
InChI=1S/C10H9NO4S/c1-2-14-10-7(9(12)13)11-8(15-10)6-4-3-5-16-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
QKPNHNBCKNWOFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.94
TPSA
72.56
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.4
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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