![CAS 773888-45-2 1H-Thieno[3,4-d]iMidazole-4-pentanaMide, hexahydro-2-oxo-N-2-propynyl-, (3aS,4S,6aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/773888-45-2.gif)
CAS RN: 773888-45-2
1H-Thieno[3,4-d]iMidazole-4-pentanaMide, hexahydro-2-oxo-N-2-propynyl-, (3aS,4S,6aR)-
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251004 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20250604 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250324 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250727 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-186943
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 | Beijing | Inquiry |
773888-45-2 / 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-prop-2-ynylpentanamide
Basic Information
CAS
773888-45-2
Multi CAS
Yes
Molecular Formula
C13H19N3O2S
Molecular Weight
281.380000
Exact Mass
281.119798
InChI
InChI=1S/C13H19N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h1,9-10,12H,3-8H2,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1
InChIKey
JJXUHRONZVELPY-NHCYSSNCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
75.8
TPSA
70.23
LogP / Solubility
WLOGP
0.46
MLOGP
0.42
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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