![CAS 1421701-68-9 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-(2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)ethyl)pentanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421701-68-9.gif)
CAS RN: 1421701-68-9
5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-(2-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)ethyl)pentanamide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250506 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250624 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250823 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250504 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260129 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-052935
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 | Hong Kong | Inquiry |
1421701-68-9 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]pentanamide
Basic Information
CAS
1421701-68-9
Multi CAS
No
Molecular Formula
C19H31N3O5S
Molecular Weight
413.500000
Exact Mass
413.198442
SMILES
C#CCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
InChI
InChI=1S/C19H31N3O5S/c1-2-8-25-10-12-27-13-11-26-9-7-20-17(23)6-4-3-5-16-18-15(14-28-16)21-19(24)22-18/h1,15-16,18H,3-14H2,(H,20,23)(H2,21,22,24)/t15-,16-,18-/m0/s1
InChIKey
GHIQFERKSLOFCW-BQFCYCMXSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.79
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
3
Molar refractivity
108.26
TPSA
97.92
LogP / Solubility
WLOGP
0.51
MLOGP
0.48
XLogP3
-0.2
Consensus LogP
0.26
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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