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 |
51071-75-1 / hydrogen sulfate;2,4,6-triphenylpyrylium
Basic Information
CAS
51071-75-1
Multi CAS
No
Molecular Formula
C23H18O5S
Molecular Weight
406.500000
Exact Mass
406.087495
InChI
InChI=1S/C23H17O.H2O4S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;1-5(2,3)4/h1-17H;(H2,1,2,3,4)/q+1;/p-1
InChIKey
IPEOZISWOGHJJY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
111.75
TPSA
88.73
LogP / Solubility
WLOGP
5.57
MLOGP
4.92
XLogP3
5.57
Consensus LogP
5.35
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
2,4,5-Triamino-6-hydroxypyrimidine Sulfate Hydrate
- CAS RN: 35011-47-3
- Product Code: SSC-141722
-
-
-
-
