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CAS 25736-61-2 POLY(STYRENE-ALT-MALEIC ACID) SODIUM molecular structure lightbox
CAS RN: 25736-61-2

POLY(STYRENE-ALT-MALEIC ACID) SODIUM

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 50ml In stock Shanghai Inquiry
  • Product code: starshine_CAS25736-61-2
  • Purity/Analytical Methods: >99.0%
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25736-61-2 / furan-2,5-dione;styrene

Standard CAS: 25736-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25736-61-2
Multi CAS
No
Molecular Formula
C12H10O3
Molecular Weight
202.210000
Exact Mass
202.062994
SMILES
C=CC1=CC=CC=C1.C1=CC(=O)OC1=O
InChI
InChI=1S/C8H8.C4H2O3/c1-2-8-6-4-3-5-7-8;5-3-1-2-4(6)7-3/h2-7H,1H2;1-2H
InChIKey
WOLATMHLPFJRGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.77
TPSA
43.37

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.96
Consensus LogP
1.88
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

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

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