CAS RN: 125697-63-4
2,5-Dioxopyrrolidin-1-yl 6-((((9H-fluoren-9-yl)Methoxy)carbonyl)aMino)hexanoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260406 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-030923
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 | Beijing | Inquiry |
125697-63-4 / (2,5-dioxopyrrolidin-1-yl) 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
Basic Information
CAS
125697-63-4
Multi CAS
No
Molecular Formula
C25H26N2O6
Molecular Weight
450.500000
Exact Mass
450.179087
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H26N2O6/c28-22-13-14-23(29)27(22)33-24(30)12-2-1-7-15-26-25(31)32-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,1-2,7,12-16H2,(H,26,31)
InChIKey
PDKIOJMIJUXCND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
118.72
TPSA
102.01
LogP / Solubility
WLOGP
3.69
MLOGP
3.28
XLogP3
3.1
Consensus LogP
3.36
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
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)
-2.85
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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