![CAS 1381790-25-5 L-Phenylalanine, 4-(3,5-diMethyl-4-isoxazolyl)-N-[(9H-fluoren-9-ylMethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1381790-25-5.gif)
CAS RN: 1381790-25-5
L-Phenylalanine, 4-(3,5-diMethyl-4-isoxazolyl)-N-[(9H-fluoren-9-ylMethoxy)carbonyl]-
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.20250507 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-048116
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1381790-25-5 / (2S)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
1381790-25-5
Multi CAS
No
Molecular Formula
C29H26N2O5
Molecular Weight
482.500000
Exact Mass
482.184172
SMILES
CC1=C(C(=NO1)C)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H26N2O5/c1-17-27(18(2)36-31-17)20-13-11-19(12-14-20)15-26(28(32)33)30-29(34)35-16-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,25-26H,15-16H2,1-2H3,(H,30,34)(H,32,33)/t26-/m0/s1
InChIKey
GRGGJSHXLHVROE-SANMLTNESA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
23
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
134.75
TPSA
101.66
LogP / Solubility
WLOGP
5.49
MLOGP
4.87
XLogP3
5.5
Consensus LogP
5.29
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 1381801-21-3 L-Phenylalanine, 4-cyclohexyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1381801-21-3.gif)
