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CAS 16980-82-8 Methyl 3-(3-Hydroxy-4-Methoxyphenyl)acrylate molecular structure lightbox
CAS RN: 16980-82-8

Methyl 3-(3-Hydroxy-4-Methoxyphenyl)acrylate

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260130 10mg Out of stock Inquiry
Batchno.20251106 1mg Out of stock Inquiry
Batchno.20260203 25mg Out of stock Inquiry
Batchno.20251201 5mg Out of stock Inquiry
  • Product code: starshine_CAS16980-82-8
  • Purity/Analytical Methods: >99.0%
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16980-82-8 / methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Standard CAS: 16980-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16980-82-8
Multi CAS
No
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)OC)O
InChI
InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
InChIKey
JTLOUXXZZFFBBW-GQCTYLIASA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.71
TPSA
55.76

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.86

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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