![CAS 1858224-14-2 (9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-Orn(Alloc)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1858224-14-2.gif)
CAS RN: 1858224-14-2
(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-Orn(Alloc)-OH
- Product code: SSC-086034
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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 | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1858224-14-2 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-(prop-2-enoxycarbonylamino)pentanoic acid
Basic Information
CAS
1858224-14-2
Multi CAS
No
Molecular Formula
C25H28N2O6
Molecular Weight
452.500000
Exact Mass
452.194737
SMILES
CN([C@@H](CCCNC(=O)OCC=C)C(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H28N2O6/c1-3-15-32-24(30)26-14-8-13-22(23(28)29)27(2)25(31)33-16-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h3-7,9-12,21-22H,1,8,13-16H2,2H3,(H,26,30)(H,28,29)/t22-/m0/s1
InChIKey
WIWFGWLNYOJRAK-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
123.04
TPSA
105.17
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.82
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
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)
-2.63
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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