![CAS 223581-75-7 3-amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- L-Phenylalanine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/223581-75-7.gif)
CAS RN: 223581-75-7
3-amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- L-Phenylalanine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-109027
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 | Hong Kong | Inquiry |
223581-75-7 / (2S)-3-(3-aminophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
223581-75-7
Multi CAS
No
Molecular Formula
C24H22N2O4
Molecular Weight
402.400000
Exact Mass
402.157957
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC=C4)N)C(=O)O
InChI
InChI=1S/C24H22N2O4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
ZNJZSLBSDBNOSV-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
114.19
TPSA
101.65
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
4
Consensus LogP
3.72
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47
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
3.5
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![CAS 223595-15-1 1-PROPANONE, 1-[(1R)-5-BROMO-1,3-DIHYDRO-1-METHYL-2H-ISOINDOL-2-YL]-2,2-DIMETHYL- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/223595-15-1.gif)