CAS RN: 1599432-34-4
Maleimide-NH-PEG6-CH2CH2COOPFP Ester
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.20250806 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1599432-34-4
- Purity/Analytical Methods: >99.0%
1599432-34-4 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1599432-34-4
Multi CAS
No
Molecular Formula
C28H35F5N2O11
Molecular Weight
670.600000
Exact Mass
670.216101
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C28H35F5N2O11/c29-23-24(30)26(32)28(27(33)25(23)31)46-22(39)4-7-40-9-11-42-13-15-44-17-18-45-16-14-43-12-10-41-8-5-34-19(36)3-6-35-20(37)1-2-21(35)38/h1-2H,3-18H2,(H,34,36)
InChIKey
PELJIWMJFINXNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
25
H-bond acceptors
11
H-bond donors
1
Molar refractivity
144.88
TPSA
148.16
LogP / Solubility
WLOGP
1.21
MLOGP
1.12
XLogP3
-0.3
Consensus LogP
0.68
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.95
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
4
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