CAS RN: 1346410-78-3
(2R,6S)-4-(tert-butoxycarbonyl)-6-methylmorpholine-2-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250123 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1346410-78-3
- Purity/Analytical Methods: >99.0%
1346410-78-3 / (2R,6S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Basic Information
CAS
1346410-78-3
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
C[C@H]1CN(C[C@@H](O1)C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO5/c1-7-5-12(6-8(16-7)9(13)14)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m0/s1
InChIKey
IJMIYSXHHOKJEZ-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.78
TPSA
76.07
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.8
Consensus LogP
0.96
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.36
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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