CAS RN: 90110-76-2
5-FURAN-2-YL-ISOXAZOLE-3-CARBOXYLIC ACID HYDRAZIDE
- Product code: SSC-202545
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 |
90110-76-2 / 5-(furan-2-yl)-1,2-oxazole-3-carbohydrazide
Basic Information
CAS
90110-76-2
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
InChI
InChI=1S/C8H7N3O3/c9-10-8(12)5-4-7(14-11-5)6-2-1-3-13-6/h1-4H,9H2,(H,10,12)
InChIKey
YAVAKNCPWSSNOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
45.86
TPSA
94.29
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
Consensus LogP
0.34
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 90111-72-1 5-CYCLOHEXYL-2H-[1,2,4]TRIAZOL-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90111-72-1.gif)