CAS RN: 1352750-34-5
WSP-1
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250421 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250629 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260204 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260517 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260316 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250723 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1352750-34-5
- Purity/Analytical Methods: >99.0%
1352750-34-5 / (6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 2-(pyridin-2-yldisulfanyl)benzoate
Basic Information
CAS
1352750-34-5
Multi CAS
No
Molecular Formula
C33H21NO6S2
Molecular Weight
591.700000
Exact Mass
591.081030
SMILES
COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C5=CC=CC=C5SSC6=CC=CC=N6)C7=CC=CC=C7C(=O)O3
InChI
InChI=1S/C33H21NO6S2/c1-37-20-13-15-25-27(18-20)39-28-19-21(14-16-26(28)33(25)24-10-4-2-8-22(24)32(36)40-33)38-31(35)23-9-3-5-11-29(23)41-42-30-12-6-7-17-34-30/h2-19H,1H3
InChIKey
VHKQAUGSGQUCDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
158.6
TPSA
83.95
LogP / Solubility
WLOGP
7.68
MLOGP
6.8
XLogP3
6.9
Consensus LogP
7.13
Log S (ESOL)
-8.48
Class (ESOL)
Insoluble
Log S (Ali)
-9.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
1-(5-BROMOPYRIDIN-2-YL)CYCLOPROPANECARBOXAMIDE
- CAS RN: 1352753-97-9
- Product Code: SSC-043371
-
Verinurad
- CAS RN: 1352792-74-5
- Product Code: starshine_CAS1352792-74-5
- Purity/Analytical method: >99.0%
-
Propanoic acid, 2-[(3-bromo-4-pyridinyl)thio]-2-methyl-, ethyl ester
- CAS RN: 1352794-86-5
- Product Code: SSC-043376
-
1-Naphthalenecarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1352794-90-1
- Product Code: SSC-043377
-
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
- CAS RN: 1352796-64-5
- Product Code: SSC-043378
-
2-FluoropyriMidine-5-boronic acid pinacol ester
- CAS RN: 1352796-65-6
- Product Code: SSC-043379
![CAS 1352794-86-5 Propanoic acid, 2-[(3-bromo-4-pyridinyl)thio]-2-methyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352794-86-5.gif)
.gif)
