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CAS 2183440-37-9 TCO-PEG9-maleimide molecular structure lightbox
CAS RN: 2183440-37-9

TCO-PEG9-maleimide

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 10mg / 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS2183440-37-9
  • Purity/Analytical Methods: >99.0%
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2183440-37-9 / [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2183440-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2183440-37-9
Multi CAS
No
Molecular Formula
C36H61N3O14
Molecular Weight
759.900000
Exact Mass
759.415354
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C36H61N3O14/c40-33(10-13-39-34(41)8-9-35(39)42)37-11-14-44-16-18-46-20-22-48-24-26-50-28-30-52-31-29-51-27-25-49-23-21-47-19-17-45-15-12-38-36(43)53-32-6-4-2-1-3-5-7-32/h1-2,8-9,32H,3-7,10-31H2,(H,37,40)(H,38,43)/b2-1-
InChIKey
TZGDGNPQUCQZSR-UPHRSURJSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.78
Rotatable bonds
34
H-bond acceptors
14
H-bond donors
2
Molar refractivity
191.35
TPSA
187.88

LogP / Solubility

WLOGP
1.18
MLOGP
1.11
XLogP3
-0.6
Consensus LogP
0.56
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.66
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)
-6.52

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
4.5

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