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CAS 1017347-62-4 3-MORPHOLINONE, 6-(AMINOMETHYL)-4-CYCLOHEXYL- molecular structure lightbox
CAS RN: 1017347-62-4

3-MORPHOLINONE, 6-(AMINOMETHYL)-4-CYCLOHEXYL-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1017347-62-4
  • Purity/Analytical Methods: >99.0%
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1017347-62-4 / 6-(aminomethyl)-4-cyclohexylmorpholin-3-one

6-(Aminomethyl)-4-cyclohexylmorpholin-3-one | 3-MORPHOLINONE, 6-(AMINOMETHYL)-4-CYCLOHEXYL- | DTXSID90640570

Standard CAS: 1017347-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017347-62-4
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
C1CCC(CC1)N2CC(OCC2=O)CN
InChI
InChI=1S/C11H20N2O2/c12-6-10-7-13(11(14)8-15-10)9-4-2-1-3-5-9/h9-10H,1-8,12H2
InChIKey
PRBPIHWLBDIBMV-UHFFFAOYSA-N
Synonyms
6-(Aminomethyl)-4-cyclohexylmorpholin-3-one 3-MORPHOLINONE, 6-(AMINOMETHYL)-4-CYCLOHEXYL- DTXSID90640570

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.38
TPSA
55.56

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.3
Consensus LogP
0.42
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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