CAS RN: 2264011-97-2
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260329 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250816 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250101 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260510 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250823 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250827 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-110572
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 | Shanghai | Inquiry |
2264011-97-2 / benzyl 2-[[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]acetate
Basic Information
CAS
2264011-97-2
Multi CAS
No
Molecular Formula
C40H41N5O9
Molecular Weight
735.800000
Exact Mass
735.290428
SMILES
C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCOCC(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C40H41N5O9/c46-35(21-43-40(51)54-24-33-31-17-9-7-15-29(31)30-16-8-10-18-32(30)33)41-22-37(48)45-34(19-27-11-3-1-4-12-27)39(50)42-20-36(47)44-26-52-25-38(49)53-23-28-13-5-2-6-14-28/h1-18,33-34H,19-26H2,(H,41,46)(H,42,50)(H,43,51)(H,44,47)(H,45,48)/t34-/m0/s1
InChIKey
IYTHCDKNSNAYJP-UMSFTDKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
5
Molar refractivity
196.37
TPSA
190.26
LogP / Solubility
WLOGP
2.32
MLOGP
2.1
XLogP3
3.8
Consensus LogP
2.74
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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