CAS RN: 89360-06-5

POLY((ISOBUTYLENE-ALT-MALEIMIDE)-CO-

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  • Product code: starshine_CAS89360-06-5
  • Purity/Analytical Methods: >99.0%
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89360-06-5 / (Z)-4-amino-4-oxobut-2-enoic acid;furan-2,5-dione;2-methylprop-1-ene;pyrrole-2,5-dione

Standard CAS: 89360-06-5 Multi CAS: Yes

Basic Information

CAS
89360-06-5
Multi CAS
Yes
Molecular Formula
C16H18N2O8
Molecular Weight
366.320000
Exact Mass
366.106316
InChI
InChI=1S/C4H5NO3.C4H3NO2.C4H2O3.C4H8/c5-3(6)1-2-4(7)8;6-3-1-2-4(7)5-3;5-3-1-2-4(6)7-3;1-4(2)3/h1-2H,(H2,5,6)(H,7,8);1-2H,(H,5,6,7);1-2H;1H2,2-3H3/b2-1-;;;
InChIKey
WTIFEJCTMACABL-GRHBHMESSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
88.99
TPSA
169.93

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.4
XLogP3
-0.48
Consensus LogP
-0.45
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-5.3

Drug-likeness / Medicinal Chemistry

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

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