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CAS 170440-07-0 2-(4-methoxyphenoxy)pyridin-3-amine molecular structure lightbox
CAS RN: 170440-07-0

2-(4-methoxyphenoxy)pyridin-3-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS170440-07-0
  • Purity/Analytical Methods: >99.0%
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170440-07-0 / 2-(4-methoxyphenoxy)pyridin-3-amine

Standard CAS: 170440-07-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170440-07-0
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
COC1=CC=C(C=C1)OC2=C(C=CC=N2)N
InChI
InChI=1S/C12H12N2O2/c1-15-9-4-6-10(7-5-9)16-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3
InChIKey
YCHHURQEIGRWHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.72
TPSA
57.37

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2
Consensus LogP
2.21
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

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