CAS RN: 60074-25-1

2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoic acid

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Batchno.20250916 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS60074-25-1
  • Purity/Analytical Methods: >99.0%
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60074-25-1 / 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid

Standard CAS: 60074-25-1 Multi CAS: No

Basic Information

CAS
60074-25-1
Multi CAS
No
Molecular Formula
C14H11CL2NO4
Molecular Weight
328.100000
Exact Mass
327.006513
InChI
InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)
InChIKey
SVGBNTOHFITEDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.5
TPSA
68.65

LogP / Solubility

WLOGP
4.03
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.83
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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