![CAS 2271413-88-6 L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-, 1-(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2271413-88-6.gif)
CAS RN: 2271413-88-6
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-, 1-(1,1-dimethylethyl) ester
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.20260306 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-110776
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
2271413-88-6 / (3S)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Basic Information
CAS
2271413-88-6
Multi CAS
No
Molecular Formula
C24H27NO6
Molecular Weight
425.500000
Exact Mass
425.183838
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)20(13-21(26)27)25(4)23(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,26,27)/t20-/m0/s1
InChIKey
JLONEWJKGQUDTP-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.72
TPSA
93.14
LogP / Solubility
WLOGP
4.05
MLOGP
3.59
XLogP3
3.7
Consensus LogP
3.78
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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