CAS RN: 6976-49-4
Ethyl morpholinocarboxylate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS6976-49-4
- Purity/Analytical Methods: >99.0%
6976-49-4 / ethyl morpholine-4-carboxylate
Basic Information
CAS
6976-49-4
Multi CAS
Yes
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
InChI
InChI=1S/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3
InChIKey
RTBBWCJKGBZVGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.41
TPSA
38.77
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
0.1
Consensus LogP
0.33
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.35
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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