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 | Hong Kong | Inquiry |
89465-52-1 / 6-hydrazinylpyridine-2-carbohydrazide
Basic Information
CAS
89465-52-1
Multi CAS
No
Molecular Formula
C6H9N5O
Molecular Weight
167.170000
Exact Mass
167.080710
InChI
InChI=1S/C6H9N5O/c7-10-5-3-1-2-4(9-5)6(12)11-8/h1-3H,7-8H2,(H,9,10)(H,11,12)
InChIKey
PYRUFDXVYXVLMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
43.7
TPSA
106.06
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.91
XLogP3
-0.7
Consensus LogP
-0.88
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.47
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
