CAS RN: 1814901-04-6
NH-(PEG3-acid)2
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082485
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 | Shanghai | Inquiry |
1814901-04-6 / 3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1814901-04-6
Multi CAS
No
Molecular Formula
C18H35NO10
Molecular Weight
425.500000
Exact Mass
425.226096
SMILES
C(COCCOCCOCCNCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C18H35NO10/c20-17(21)1-5-24-9-13-28-15-11-26-7-3-19-4-8-27-12-16-29-14-10-25-6-2-18(22)23/h19H,1-16H2,(H,20,21)(H,22,23)
InChIKey
SOBFCIHPQNRZEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
24
H-bond acceptors
9
H-bond donors
3
Molar refractivity
102.29
TPSA
142.01
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.3
XLogP3
-4.4
Consensus LogP
-1.69
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1814936-54-3 Palladium, [1,3-bis[2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-1,3-dihydro-2H-imidazol-2-ylidene]dichloro(3-chloropyridine-κN)-, (SP-4-1)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1814936-54-3.gif)
