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CAS 132546-81-7 METHYL 6-MORPHOLINONICOTINATE molecular structure lightbox
CAS RN: 132546-81-7

METHYL 6-MORPHOLINONICOTINATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS132546-81-7
  • Purity/Analytical Methods: >99.0%
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132546-81-7 / methyl 6-morpholin-4-ylpyridine-3-carboxylate

Standard CAS: 132546-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132546-81-7
Multi CAS
No
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
SMILES
COC(=O)C1=CN=C(C=C1)N2CCOCC2
InChI
InChI=1S/C11H14N2O3/c1-15-11(14)9-2-3-10(12-8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
FFBPRHFKXVNLDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.61
TPSA
51.66

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.8
Consensus LogP
0.71
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.58

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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