[email protected]
CAS 97459-72-8 4-(2-methoxy-4-nitrophenyl)morpholine molecular structure lightbox
CAS RN: 97459-72-8

4-(2-methoxy-4-nitrophenyl)morpholine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS97459-72-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

97459-72-8 / 4-(2-methoxy-4-nitrophenyl)morpholine

Standard CAS: 97459-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97459-72-8
Multi CAS
No
Molecular Formula
C11H14N2O4
Molecular Weight
238.240000
Exact Mass
238.095357
InChI
InChI=1S/C11H14N2O4/c1-16-11-8-9(13(14)15)2-3-10(11)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3
InChIKey
KORWLDQABONDQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
62.68
TPSA
64.84

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.5
Consensus LogP
1.4
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us