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CAS 32002-24-7 Ethyl 3,3-Diethoxyacrylate molecular structure lightbox
CAS RN: 32002-24-7

Ethyl 3,3-Diethoxyacrylate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 1g In stock Shanghai Inquiry
  • Product code: ICTD2006
  • Purity/Analytical Methods: >95.0%(GC)
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32002-24-7 / ethyl 3,3-diethoxyprop-2-enoate

Standard CAS: 32002-24-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32002-24-7
Multi CAS
Yes
Molecular Formula
C9H16O4
Molecular Weight
188.220000
Exact Mass
188.104859
InChI
InChI=1S/C9H16O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h7H,4-6H2,1-3H3
InChIKey
POJGRKZMYVJCST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
47.97
TPSA
44.76

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.83

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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