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CAS 88504-24-9 MPEG12-Mal molecular structure lightbox
CAS RN: 88504-24-9

MPEG12-Mal

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88504-24-9
  • Purity/Analytical Methods: >99.0%
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88504-24-9 / 3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide

Standard CAS: 88504-24-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88504-24-9
Multi CAS
Yes
Molecular Formula
C11H16N2O5
Molecular Weight
256.250000
Exact Mass
256.105922
InChI
InChI=1S/C32H58N2O15/c1-38-8-9-40-12-13-42-16-17-44-20-21-46-24-25-48-28-29-49-27-26-47-23-22-45-19-18-43-15-14-41-11-10-39-7-5-33-30(35)4-6-34-31(36)2-3-32(34)37/h2-3H,4-29H2,1H3,(H,33,35)
InChIKey
OVCDVKBUIQUWMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.39
TPSA
95.94

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.38
XLogP3
-1
Consensus LogP
-1.32
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-5.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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