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CAS 2353409-81-9 Gly-Gly-Gly-PEG3-TCO molecular structure lightbox
CAS RN: 2353409-81-9

Gly-Gly-Gly-PEG3-TCO

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2353409-81-9
  • Purity/Analytical Methods: >99.0%
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2353409-81-9 / [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2353409-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-81-9
Multi CAS
No
Molecular Formula
C23H41N5O8
Molecular Weight
515.600000
Exact Mass
515.295513
SMILES
C1C/C=C/CCC(C1)OC(=O)NCCOCCOCCOCCNC(=O)CNC(=O)CNC(=O)CN
InChI
InChI=1S/C23H41N5O8/c24-16-20(29)27-18-22(31)28-17-21(30)25-8-10-33-12-14-35-15-13-34-11-9-26-23(32)36-19-6-4-2-1-3-5-7-19/h1-2,19H,3-18,24H2,(H,25,30)(H,26,32)(H,27,29)(H,28,31)/b2-1+
InChIKey
GUKWYRQLMOYPGS-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.74
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
5
Molar refractivity
131.04
TPSA
179.34

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.88
XLogP3
-1.1
Consensus LogP
-1.01
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.6

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
4.5

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