CAS RN: 1993134-72-7
endo-BCN-PEG2-acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260126 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250125 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250929 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260420 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250331 | 25mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry | |
| Batchno.20250419 | 50mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry | |
| Batchno.20260215 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-093844
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1993134-72-7 / 3-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1993134-72-7
Multi CAS
No
Molecular Formula
C18H27NO6
Molecular Weight
353.400000
Exact Mass
353.183838
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCC(=O)O)CCC#C1
InChI
InChI=1S/C18H27NO6/c20-17(21)7-9-23-11-12-24-10-8-19-18(22)25-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,19,22)(H,20,21)/t14-,15+,16?
InChIKey
IAUAMLUNAMJRHF-XYPWUTKMSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.78
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
89.96
TPSA
94.09
LogP / Solubility
WLOGP
1.66
MLOGP
1.48
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.66
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)
-3.7
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
3.5
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