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CAS 7362-39-2 p-Coumaric acid ethyl ester molecular structure lightbox
CAS RN: 7362-39-2

p-Coumaric acid ethyl ester

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250817 100g Out of stock 5-7 business days Inquiry
Batchno.20250730 1g In stock Guangdong Inquiry
Batchno.20260109 25g In stock Shanghai, Shandong Inquiry
Batchno.20250216 5g In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS7362-39-2
  • Purity/Analytical Methods: >99.0%
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7362-39-2 / ethyl 3-(4-hydroxyphenyl)prop-2-enoate

Standard CAS: 7362-39-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7362-39-2
Multi CAS
Yes
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3
InChIKey
ZOQCEVXVQCPESC-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
H-bond donors
1
Molar refractivity
53.77
TPSA
46.53

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2.6
Consensus LogP
2.1
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.49

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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