CAS RN: 328406-65-1
(S)-NIFE
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.20250607 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-138587
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 |
328406-65-1 / 2-methoxyethyl (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoate
Basic Information
CAS
328406-65-1
Multi CAS
Yes
Molecular Formula
C19H20N2O7
Molecular Weight
388.400000
Exact Mass
388.127051
InChI
InChI=1S/C19H20N2O7/c1-26-11-12-27-18(22)17(13-14-5-3-2-4-6-14)20-19(23)28-16-9-7-15(8-10-16)21(24)25/h2-10,17H,11-13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKey
ZSOUYIBYVUBOGT-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
99.03
TPSA
117
LogP / Solubility
WLOGP
2.48
MLOGP
2.21
XLogP3
3.1
Consensus LogP
2.6
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
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
No
Log Kp (skin permeation)
-3.33
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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