CAS RN: 2112738-09-5
Mal-PEG4-Val-Cit-PAB-PNP
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260512 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250706 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260528 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260523 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260408 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251222 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260508 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-100866
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2112738-09-5 / [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
Basic Information
CAS
2112738-09-5
Multi CAS
No
Molecular Formula
C40H53N7O15
Molecular Weight
871.900000
Exact Mass
871.359964
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCOCCOCCOCCOCCN3C(=O)C=CC3=O
InChI
InChI=1S/C40H53N7O15/c1-27(2)36(45-33(48)15-18-57-20-22-59-24-25-60-23-21-58-19-17-46-34(49)13-14-35(46)50)38(52)44-32(4-3-16-42-39(41)53)37(51)43-29-7-5-28(6-8-29)26-61-40(54)62-31-11-9-30(10-12-31)47(55)56/h5-14,27,32,36H,3-4,15-26H2,1-2H3,(H,43,51)(H,44,52)(H,45,48)(H3,41,42,53)/t32-,36-/m0/s1
InChIKey
ZEPYLTPLLQQBNX-IKYOIFQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
29
H-bond acceptors
15
H-bond donors
5
Molar refractivity
218.25
TPSA
295.39
LogP / Solubility
WLOGP
1.7
MLOGP
1.58
XLogP3
0.7
Consensus LogP
1.33
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.83
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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