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CAS 70580-10-8 3-(3-Methylpyridin-2-Yl)Propanoic Acid molecular structure lightbox
CAS RN: 70580-10-8

3-(3-Methylpyridin-2-Yl)Propanoic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS70580-10-8
  • Purity/Analytical Methods: >99.0%
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70580-10-8 / 3-(3-methyl-2-pyridinyl)propanoic acid

Standard CAS: 70580-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70580-10-8
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-7-3-2-6-10-8(7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey
YZBPCDZFVUHWRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.93
TPSA
50.19

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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