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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1814901-03-5 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1814901-03-5
Multi CAS
No
Molecular Formula
C26H51NO10
Molecular Weight
537.700000
Exact Mass
537.351297
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCNCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C26H51NO10/c1-25(2,3)36-23(28)7-11-30-15-19-34-21-17-32-13-9-27-10-14-33-18-22-35-20-16-31-12-8-24(29)37-26(4,5)6/h27H,7-22H2,1-6H3
InChIKey
JZUKFOGFKFISJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.92
Rotatable bonds
24
H-bond acceptors
11
H-bond donors
1
Molar refractivity
138.71
TPSA
120.01
LogP / Solubility
WLOGP
2.14
MLOGP
1.92
XLogP3
0.5
Consensus LogP
1.52
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.81
Class (SILICOS-IT)
Insoluble
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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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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)
