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CAS 25153-40-6 METHYL VINYL ETHER/MALEIC ACID COPOLYMER molecular structure lightbox
CAS RN: 25153-40-6

METHYL VINYL ETHER/MALEIC ACID COPOLYMER

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  • Product code: starshine_CAS25153-40-6
  • Purity/Analytical Methods: >99.0%
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25153-40-6 / but-2-enedioic acid;methoxyethene

Standard CAS: 25153-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25153-40-6
Multi CAS
No
Molecular Formula
C7H10O5
Molecular Weight
174.150000
Exact Mass
174.052823
SMILES
COC=C.C(=CC(=O)O)C(=O)O
InChI
InChI=1S/C4H4O4.C3H6O/c5-3(6)1-2-4(7)8;1-3-4-2/h1-2H,(H,5,6)(H,7,8);3H,1H2,2H3
InChIKey
HHEHWCIYDICHCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.62
TPSA
83.83

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble

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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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