CAS RN: 6729-79-9
1,4-PHENYLENE DIACRYLATE
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.20260221 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6729-79-9
- Purity/Analytical Methods: >99.0%
6729-79-9 / (4-prop-2-enoyloxyphenyl) prop-2-enoate
Basic Information
CAS
6729-79-9
Multi CAS
Yes
Molecular Formula
C12H10O4
Molecular Weight
218.200000
Exact Mass
218.057909
InChI
InChI=1S/C12H10O4/c1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2/h3-8H,1-2H2
InChIKey
JMMVHMOAIMOMOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.11
TPSA
52.6
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
2.6
Consensus LogP
2.04
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.72
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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