CAS RN: 80514-65-4
Trityl-L-Alanine diethylammonium salt
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.20250305 | 100mg / 250mg / 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-189313
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
80514-65-4 / N-ethylethanamine;2-(tritylamino)propanoic acid
Basic Information
CAS
80514-65-4
Multi CAS
Yes
Molecular Formula
C26H32N2O2
Molecular Weight
404.500000
Exact Mass
404.246378
InChI
InChI=1S/C22H21NO2.C4H11N/c1-17(21(24)25)23-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-3-5-4-2/h2-17,23H,1H3,(H,24,25);5H,3-4H2,1-2H3
InChIKey
PWGPLCPGMCXDCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
123.66
TPSA
61.36
LogP / Solubility
WLOGP
4.66
MLOGP
4.12
XLogP3
4.66
Consensus LogP
4.48
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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