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CAS 4245-35-6 Isoamyl Acrylate (stabilized with HQ) molecular structure lightbox
CAS RN: 4245-35-6

Isoamyl Acrylate (stabilized with HQ)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 1ml / 5ml / 25ml / 100ml / 250ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTA0890
  • Purity/Analytical Methods: >98.0%(GC)
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4245-35-6 / 3-methylbutyl prop-2-enoate

Standard CAS: 4245-35-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4245-35-6
Multi CAS
Yes
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey
ZVYGIPWYVVJFRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
40.61
TPSA
26.3

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
2.8
Consensus LogP
2.03
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.53
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)
-2.34

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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