[email protected]
CAS 329249-47-0 N-Methyl-N-[2-(4-nitrophenoxy)ethyl]-2-pyridinamine molecular structure lightbox
CAS RN: 329249-47-0

N-Methyl-N-[2-(4-nitrophenoxy)ethyl]-2-pyridinamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS329249-47-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

329249-47-0 / N-methyl-N-[2-(4-nitrophenoxy)ethyl]pyridin-2-amine

Standard CAS: 329249-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
329249-47-0
Multi CAS
Yes
Molecular Formula
C14H15N3O3
Molecular Weight
273.290000
Exact Mass
273.111341
InChI
InChI=1S/C14H15N3O3/c1-16(14-4-2-3-9-15-14)10-11-20-13-7-5-12(6-8-13)17(18)19/h2-9H,10-11H2,1H3
InChIKey
TWIYXGCZNBTQEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
76.1
TPSA
68.5

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us