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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
52033-74-6 / phenylhydrazine;sulfuric acid
Basic Information
CAS
52033-74-6
Multi CAS
Yes
Molecular Formula
C12H18N4O4S
Molecular Weight
314.360000
Exact Mass
314.104876
InChI
InChI=1S/2C6H8N2.H2O4S/c2*7-8-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5,8H,7H2;(H2,1,2,3,4)
InChIKey
GSKCKIQJTWVQLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
6
Molar refractivity
82.68
TPSA
150.7
LogP / Solubility
WLOGP
1.29
MLOGP
1.15
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
