CAS RN: 1881221-47-1
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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.20250305 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260428 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260611 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250220 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260307 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-087502
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: 0.25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
1881221-47-1 / 3-[2-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1881221-47-1
Multi CAS
No
Molecular Formula
C22H35NO8
Molecular Weight
441.500000
Exact Mass
441.236267
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOCCC(=O)O)CCC#C1
InChI
InChI=1S/C22H35NO8/c24-21(25)7-9-27-11-13-29-15-16-30-14-12-28-10-8-23-22(26)31-17-20-18-5-3-1-2-4-6-19(18)20/h18-20H,3-17H2,(H,23,26)(H,24,25)/t18-,19+,20?
InChIKey
MOPSTLKSTPBGBX-YOFSQIOKSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.82
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
2
Molar refractivity
111.59
TPSA
112.55
LogP / Solubility
WLOGP
1.69
MLOGP
1.52
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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