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CAS 54493-88-8 2-(2-Methoxy-Phenyl)-Acrylic Acid Methyl Ester molecular structure lightbox
CAS RN: 54493-88-8

2-(2-Methoxy-Phenyl)-Acrylic Acid Methyl Ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS54493-88-8
  • Purity/Analytical Methods: >99.0%
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54493-88-8 / methyl 2-(2-methoxyphenyl)prop-2-enoate

Standard CAS: 54493-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54493-88-8
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c1-8(11(12)14-3)9-6-4-5-7-10(9)13-2/h4-7H,1H2,2-3H3
InChIKey
WAERXXDJZGITQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
54.04
TPSA
35.53

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
2.3
Consensus LogP
1.94
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.56

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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