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 | Hong Kong | Inquiry |
32514-47-9 / bis(1,2-diphenylguanidine);sulfuric acid
Basic Information
CAS
32514-47-9
Multi CAS
Yes
Molecular Formula
C26H28N6O4S
Molecular Weight
520.600000
Exact Mass
520.189275
InChI
InChI=1S/2C13H13N3.H2O4S/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-5(2,3)4/h2*1-10H,(H3,14,15,16);(H2,1,2,3,4)
InChIKey
NVHDSDBOGGXRJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
6
Molar refractivity
149.76
TPSA
175.42
LogP / Solubility
WLOGP
4.84
MLOGP
4.3
XLogP3
4.84
Consensus LogP
4.66
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
