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CAS 893738-18-6 5-(3-Methoxyphenyl)pyridin-2-aMine molecular structure lightbox
CAS RN: 893738-18-6

5-(3-Methoxyphenyl)pyridin-2-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS893738-18-6
  • Purity/Analytical Methods: >99.0%
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893738-18-6 / 5-(3-methoxyphenyl)pyridin-2-amine

Standard CAS: 893738-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893738-18-6
Multi CAS
No
Molecular Formula
C12H12N2O
Molecular Weight
200.240000
Exact Mass
200.094963
InChI
InChI=1S/C12H12N2O/c1-15-11-4-2-3-9(7-11)10-5-6-12(13)14-8-10/h2-8H,1H3,(H2,13,14)
InChIKey
UVYHJYCQMANHPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.64
TPSA
48.14

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.28

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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