CAS RN: 34570-27-9
2-Propenoic acid, 2-methyl-, 2-(4-benzoylphenoxy)ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250327 | 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS34570-27-9
- Purity/Analytical Methods: >99.0%
34570-27-9 / 2-(4-benzoylphenoxy)ethyl 2-methylprop-2-enoate
Basic Information
CAS
34570-27-9
Multi CAS
No
Molecular Formula
C19H18O4
Molecular Weight
310.300000
Exact Mass
310.120509
InChI
InChI=1S/C19H18O4/c1-14(2)19(21)23-13-12-22-17-10-8-16(9-11-17)18(20)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3
InChIKey
IMQBXFQPBALLJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
87.58
TPSA
52.6
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
4.1
Consensus LogP
3.51
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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