CAS RN: 57198-94-4
5-hydroxypentyl acrylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57198-94-4
- Purity/Analytical Methods: >99.0%
57198-94-4 / 5-hydroxypentyl prop-2-enoate
Basic Information
CAS
57198-94-4
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-2-8(10)11-7-5-3-4-6-9/h2,9H,1,3-7H2
InChIKey
INRQKLGGIVSJRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.09
TPSA
46.53
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
1.5
Consensus LogP
1.05
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.06
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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