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 | Shanghai | Inquiry |
23275-49-2 / 5-pyridin-4-yl-1,2,4-oxadiazol-3-amine
Basic Information
CAS
23275-49-2
Multi CAS
No
Molecular Formula
C7H6N4O
Molecular Weight
162.150000
Exact Mass
162.054161
SMILES
C1=CN=CC=C1C2=NC(=NO2)N
InChI
InChI=1S/C7H6N4O/c8-7-10-6(12-11-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)
InChIKey
RTTFXGPZQFFCPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
41.94
TPSA
77.83
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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Peltatoside
- CAS RN: 23284-18-6
- Product Code: starshine_CAS23284-18-6
- Purity/Analytical method: >99.0%
