CAS RN: 1700609-17-1

((2R,6R)-6-methylmorpholin-2-yl)methanol

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  • Product code: starshine_CAS1700609-17-1
  • Purity/Analytical Methods: >99.0%
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1700609-17-1 / [(2R,6R)-6-methylmorpholin-2-yl]methanol

Standard CAS: 1700609-17-1 Multi CAS: No

Basic Information

CAS
1700609-17-1
Multi CAS
No
Molecular Formula
C6H13NO2
Molecular Weight
131.170000
Exact Mass
131.094629
SMILES
C[C@@H]1CNC[C@@H](O1)CO
InChI
InChI=1S/C6H13NO2/c1-5-2-7-3-6(4-8)9-5/h5-8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
RLUNMFUEXOEXSZ-PHDIDXHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.29
TPSA
41.49

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.58
XLogP3
-0.8
Consensus LogP
-0.67
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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