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CAS 52496-08-9 Polypropylene Glycol Diacrylate (n=approx. 12) (stabilized with MEHQ) molecular structure lightbox
CAS RN: 52496-08-9

Polypropylene Glycol Diacrylate (n=approx. 12) (stabilized with MEHQ)

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 100g In stock Inquiry
Batchno.20251019 2.5kg In stock Inquiry
Batchno.20250708 25g In stock Inquiry
Batchno.20251115 500g In stock Inquiry
  • Product code: ICTP2759
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52496-08-9 / propane-1,3-diol;prop-2-enoic acid

Standard CAS: 52496-08-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52496-08-9
Multi CAS
Yes
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
InChI
InChI=1S/C3H4O2.C3H8O2/c1-2-3(4)5;4-2-1-3-5/h2H,1H2,(H,4,5);4-5H,1-3H2
InChIKey
TXHCDEYHZPHRAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.62
TPSA
77.76

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.38
Consensus LogP
-0.37
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.89

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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