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CAS 36840-85-4 1,5-Pentanediol diacrylate molecular structure lightbox
CAS RN: 36840-85-4

1,5-Pentanediol diacrylate

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260327 100g In stock Shanghai Inquiry
Batchno.20260213 25g In stock Shanghai, Guangdong Inquiry
Batchno.20250416 5g In stock Shanghai, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100g In stock Inquiry
Batchno.20250904 25g In stock Inquiry
Batchno.20250220 5g In stock Inquiry
  • Product code: starshine_CAS36840-85-4
  • Purity/Analytical Methods: >99.0%
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36840-85-4 / 5-prop-2-enoyloxypentyl prop-2-enoate

Standard CAS: 36840-85-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36840-85-4
Multi CAS
Yes
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
InChI
InChI=1S/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2
InChIKey
XAMCLRBWHRRBCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
56.16
TPSA
52.6

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
2.3
Consensus LogP
1.78
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.87

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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