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CAS 2353409-94-4 TCO-PEG6-amine molecular structure lightbox
CAS RN: 2353409-94-4

TCO-PEG6-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2353409-94-4
  • Purity/Analytical Methods: >99.0%
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2353409-94-4 / [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2353409-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353409-94-4
Multi CAS
No
Molecular Formula
C23H44N2O8
Molecular Weight
476.600000
Exact Mass
476.309766
SMILES
C1C/C=C/CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C23H44N2O8/c24-8-10-27-12-14-29-16-18-31-20-21-32-19-17-30-15-13-28-11-9-25-23(26)33-22-6-4-2-1-3-5-7-22/h1-2,22H,3-21,24H2,(H,25,26)/b2-1+
InChIKey
UWVQQISAJNIKQB-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.87
Rotatable bonds
21
H-bond acceptors
9
H-bond donors
2
Molar refractivity
124.47
TPSA
119.73

LogP / Solubility

WLOGP
1.66
MLOGP
1.49
XLogP3
0.4
Consensus LogP
1.18
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
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)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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