CAS RN: 25722-45-6
POLYPROPYLENE-GRAFT-MALEIC ANHYDRIDE, AV ERAGE MW CA. 9,100
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS25722-45-6
- Purity/Analytical Methods: >99.0%
25722-45-6 / furan-2,5-dione;prop-1-ene
Basic Information
CAS
25722-45-6
Multi CAS
No
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
SMILES
CC=C.C1=CC(=O)OC1=O
InChI
InChI=1S/C4H2O3.C3H6/c5-3-1-2-4(6)7-3;1-3-2/h1-2H;3H,1H2,2H3
InChIKey
DBVUAFDZHKSZJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
36.11
TPSA
43.37
LogP / Solubility
WLOGP
0.82
MLOGP
0.71
XLogP3
0.82
Consensus LogP
0.78
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-2.99
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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