CAS RN: 1037589-69-7
PF-05231023
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250726 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1037589-69-7
- Purity/Analytical Methods: >99.0%
1037589-69-7 / 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]propoxy]ethoxy]ethyl]propanamide
Mal-amido-PEG2-C2-amido-Ph-C2-CO-AZD | PF-05231023 | DKL4ESK12F
Basic Information
CAS
1037589-69-7
Multi CAS
No
Molecular Formula
C26H32N4O8
Molecular Weight
528.600000
Exact Mass
528.222014
SMILES
C1CN(C1=O)C(=O)CCC2=CC=C(C=C2)NC(=O)CCOCCOCCNC(=O)CCN3C(=O)C=CC3=O
InChI
InChI=1S/C26H32N4O8/c31-21(9-13-29-24(34)7-8-25(29)35)27-12-16-38-18-17-37-15-11-22(32)28-20-4-1-19(2-5-20)3-6-23(33)30-14-10-26(30)36/h1-2,4-5,7-8H,3,6,9-18H2,(H,27,31)(H,28,32)
InChIKey
BJDLYWUPKGDHCF-UHFFFAOYSA-N
Synonyms
Mal-amido-PEG2-C2-amido-Ph-C2-CO-AZD
PF-05231023
DKL4ESK12F
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]propoxy]ethoxy]ethyl]propanamide
PF-05231023 crosslinking agent
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
2
Molar refractivity
134.47
TPSA
151.42
LogP / Solubility
WLOGP
0.17
MLOGP
0.19
XLogP3
-1.6
Consensus LogP
-0.41
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.82
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
4
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