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CAS 59627-03-1 2-Methyl-3-pyridin-2-yl-acrylic acid molecular structure lightbox
CAS RN: 59627-03-1

2-Methyl-3-pyridin-2-yl-acrylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260630 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS59627-03-1
  • Purity/Analytical Methods: >99.0%
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59627-03-1 / (E)-2-methyl-3-pyridin-2-ylprop-2-enoic acid

Standard CAS: 59627-03-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59627-03-1
Multi CAS
Yes
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
InChI
InChI=1S/C9H9NO2/c1-7(9(11)12)6-8-4-2-3-5-10-8/h2-6H,1H3,(H,11,12)/b7-6+
InChIKey
VPTCGWZDICQYKQ-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.52
TPSA
50.19

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.6

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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