[email protected]
CAS 1503044-76-5 3-Pyridinamine, 4-methyl-6-(phenylmethoxy)- molecular structure lightbox
CAS RN: 1503044-76-5

3-Pyridinamine, 4-methyl-6-(phenylmethoxy)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1503044-76-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1503044-76-5 / 4-methyl-6-phenylmethoxypyridin-3-amine

Standard CAS: 1503044-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1503044-76-5
Multi CAS
No
Molecular Formula
C13H14N2O
Molecular Weight
214.260000
Exact Mass
214.110613
SMILES
CC1=CC(=NC=C1N)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O/c1-10-7-13(15-8-12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9,14H2,1H3
InChIKey
PISWVGLEAVTIHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.16
TPSA
48.14

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.22

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us