CAS RN: 1347750-84-8

Maleimide-NH-PEG4-CH2CH2COOPFP Ester

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Batchno.20250217 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1347750-84-8
  • Purity/Analytical Methods: >99.0%
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1347750-84-8 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1347750-84-8 Multi CAS: No

Basic Information

CAS
1347750-84-8
Multi CAS
No
Molecular Formula
C24H27F5N2O9
Molecular Weight
582.500000
Exact Mass
582.163671
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C24H27F5N2O9/c25-19-20(26)22(28)24(23(29)21(19)27)40-18(35)4-7-36-9-11-38-13-14-39-12-10-37-8-5-30-15(32)3-6-31-16(33)1-2-17(31)34/h1-2H,3-14H2,(H,30,32)
InChIKey
SERXRSAEZBDOQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
1
Molar refractivity
123.25
TPSA
129.7

LogP / Solubility

WLOGP
1.18
MLOGP
1.08
Consensus LogP
0.75
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-5.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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