CAS RN: 439088-73-0
(R)-tert-butyl 2-(2-(benzyloxycarbonylaMino)-2-phenylacetaMido)acetate
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.20250519 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-151972
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 | Hong Kong | Inquiry |
439088-73-0 / tert-butyl 2-[[2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
Basic Information
CAS
439088-73-0
Multi CAS
Yes
Molecular Formula
C22H26N2O5
Molecular Weight
398.500000
Exact Mass
398.184172
InChI
InChI=1S/C22H26N2O5/c1-22(2,3)29-18(25)14-23-20(26)19(17-12-8-5-9-13-17)24-21(27)28-15-16-10-6-4-7-11-16/h4-13,19H,14-15H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKey
ZOXASPFNGNUTSR-LJQANCHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.8
TPSA
93.73
LogP / Solubility
WLOGP
3.11
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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