CAS RN: 138184-36-8

Poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene]

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5 package records3 with current stock4 grade groups
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Batchno.20250129 100mg / 500mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS138184-36-8
  • Purity/Analytical Methods: >99.0%
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138184-36-8 / 2-ethenyl-1-(2-ethylhexoxy)-4-methoxybenzene

Standard CAS: 138184-36-8 Multi CAS: No

Basic Information

CAS
138184-36-8
Multi CAS
No
Molecular Formula
C17H26O2
Molecular Weight
262.400000
Exact Mass
262.193280
SMILES
CCCCC(CC)COC1=C(C=C(C=C1)OC)C=C
InChI
InChI=1S/C17H26O2/c1-5-8-9-14(6-2)13-19-17-11-10-16(18-4)12-15(17)7-3/h7,10-12,14H,3,5-6,8-9,13H2,1-2,4H3
InChIKey
XBPRNYAUPOCWFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
81.89
TPSA
18.46

LogP / Solubility

WLOGP
4.93
MLOGP
4.35
XLogP3
5.8
Consensus LogP
5.03
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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