CAS RN: 1007113-31-6
(5R)-5-Methylethyl-3-Morpholinone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250927 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1007113-31-6
- Purity/Analytical Methods: >99.0%
1007113-31-6 / (5R)-5-propan-2-ylmorpholin-3-one
5-(PROPAN-2-YL)MORPHOLIN-3-ONE | DTXSID30602031 | RefChem:300642
Basic Information
CAS
1007113-31-6
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC(C)[C@@H]1COCC(=O)N1
InChI
InChI=1S/C7H13NO2/c1-5(2)6-3-10-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey
DGOLJYXTOMTIEE-LURJTMIESA-N
Synonyms
5-(PROPAN-2-YL)MORPHOLIN-3-ONE
DTXSID30602031
RefChem:300642
DTXCID70552788
5-Isopropylmorpholin-3-one
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.59
TPSA
38.33
LogP / Solubility
WLOGP
0.16
MLOGP
0.13
XLogP3
0.6
Consensus LogP
0.3
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.48
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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