CAS RN: 1449390-64-0

MPEG5-Hydrazide

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Batchno.20250124 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1449390-64-0
  • Purity/Analytical Methods: >99.0%
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1449390-64-0 / 3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide

Standard CAS: 1449390-64-0 Multi CAS: No

Basic Information

CAS
1449390-64-0
Multi CAS
No
Molecular Formula
C14H30N2O7
Molecular Weight
338.400000
Exact Mass
338.205301
SMILES
COCCOCCOCCOCCOCCOCCC(=O)NN
InChI
InChI=1S/C14H30N2O7/c1-18-4-5-20-8-9-22-12-13-23-11-10-21-7-6-19-3-2-14(17)16-15/h2-13,15H2,1H3,(H,16,17)
InChIKey
RCYPACRVXCTNNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.93
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
2
Molar refractivity
82.92
TPSA
110.5

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.78
XLogP3
-2.2
Consensus LogP
-1.29
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-5.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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