CAS RN: 393568-74-6
(R)-2-((tert-Butoxycarbonyl)amino)-3-(1-trityl-1H-imidazol-4-yl)propionic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250429 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-147021
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
393568-74-6 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoic acid
Basic Information
CAS
393568-74-6
Multi CAS
Yes
Molecular Formula
C30H31N3O4
Molecular Weight
497.600000
Exact Mass
497.231456
InChI
InChI=1S/C30H31N3O4/c1-29(2,3)37-28(36)32-26(27(34)35)19-25-20-33(21-31-25)30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,20-21,26H,19H2,1-3H3,(H,32,36)(H,34,35)
InChIKey
OYXZPXVCRAAKCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
23
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
141.33
TPSA
93.45
LogP / Solubility
WLOGP
5.24
MLOGP
4.65
XLogP3
5.4
Consensus LogP
5.1
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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