CAS RN: 1213977-38-8
1-((3R)MORPHOLIN-3-YL)-4-METHOXYBENZENE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS1213977-38-8
- Purity/Analytical Methods: >99.0%
1213977-38-8 / (3R)-3-(4-methoxyphenyl)morpholine
Basic Information
CAS
1213977-38-8
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
COC1=CC=C(C=C1)[C@@H]2COCCN2
InChI
InChI=1S/C11H15NO2/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11/h2-5,11-12H,6-8H2,1H3/t11-/m0/s1
InChIKey
BMCOYPKKBOYPHE-NSHDSACASA-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
H-bond donors
1
Molar refractivity
54.56
TPSA
30.49
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
0.9
Consensus LogP
1.15
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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