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CAS 2353410-06-5 TCO-PEG8-TFP ester molecular structure lightbox
CAS RN: 2353410-06-5

TCO-PEG8-TFP ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2353410-06-5
  • Purity/Analytical Methods: >99.0%
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2353410-06-5 / (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2353410-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353410-06-5
Multi CAS
No
Molecular Formula
C34H51F4NO12
Molecular Weight
741.800000
Exact Mass
741.334739
SMILES
C1C/C=C/CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F
InChI
InChI=1S/C34H51F4NO12/c35-28-26-29(36)32(38)33(31(28)37)51-30(40)8-10-42-12-14-44-16-18-46-20-22-48-24-25-49-23-21-47-19-17-45-15-13-43-11-9-39-34(41)50-27-6-4-2-1-3-5-7-27/h1-2,26-27H,3-25H2,(H,39,41)/b2-1+
InChIKey
LVMKBSBHWYSGNU-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
29
H-bond acceptors
12
H-bond donors
1
Molar refractivity
173.57
TPSA
138.47

LogP / Solubility

WLOGP
4.29
MLOGP
3.84
XLogP3
2.8
Consensus LogP
3.64
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.52
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
Yes
Log Kp (skin permeation)
-4.2

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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