CAS RN: 27347-13-3

4-(2-methoxyphenyl)morpholine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS27347-13-3
  • Purity/Analytical Methods: >99.0%
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27347-13-3 / 4-(2-methoxyphenyl)morpholine

Standard CAS: 27347-13-3 Multi CAS: No

Basic Information

CAS
27347-13-3
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
COC1=CC=CC=C1N2CCOCC2
InChI
InChI=1S/C11H15NO2/c1-13-11-5-3-2-4-10(11)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3
InChIKey
VFLNKDLFYDLRAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.03
TPSA
21.7

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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