![CAS 1793105-28-8 (9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-Orn(Boc)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1793105-28-8.gif)
CAS RN: 1793105-28-8
(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-Orn(Boc)-OH
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.20260203 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079894
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 | Shenzhen | Inquiry |
1793105-28-8 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Basic Information
CAS
1793105-28-8
Multi CAS
No
Molecular Formula
C26H32N2O6
Molecular Weight
468.500000
Exact Mass
468.226037
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-14-22(23(29)30)28(4)25(32)33-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21-22H,9,14-16H2,1-4H3,(H,27,31)(H,29,30)/t22-/m0/s1
InChIKey
BQYJGTKBQHBSDE-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
127.73
TPSA
105.17
LogP / Solubility
WLOGP
4.63
MLOGP
4.1
XLogP3
4.3
Consensus LogP
4.34
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
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)
-2.29
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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