![CAS 2196198-73-7 L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(2-propen-1-yloxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2196198-73-7.png)
CAS RN: 2196198-73-7
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[(2-propen-1-yloxy)carbonyl]-
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.20250518 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105625
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 | Shenzhen | Inquiry |
2196198-73-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-prop-2-enoxycarbonylphenyl)propanoic acid
Basic Information
CAS
2196198-73-7
Multi CAS
No
Molecular Formula
C28H25NO6
Molecular Weight
471.500000
Exact Mass
471.168188
SMILES
C=CCOC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H25NO6/c1-2-15-34-27(32)19-13-11-18(12-14-19)16-25(26(30)31)29-28(33)35-17-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h2-14,24-25H,1,15-17H2,(H,29,33)(H,30,31)/t25-/m0/s1
InChIKey
FIKOLKOUXVQYNH-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
130.25
TPSA
101.93
LogP / Solubility
WLOGP
4.56
MLOGP
4.05
XLogP3
5.1
Consensus LogP
4.57
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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