CAS RN: 1418278-51-9
4-Morpholinecarboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester
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.20260513 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1418278-51-9
- Purity/Analytical Methods: >99.0%
1418278-51-9 / tert-butyl 2-(iodomethyl)morpholine-4-carboxylate
Basic Information
CAS
1418278-51-9
Multi CAS
No
Molecular Formula
C10H18INO3
Molecular Weight
327.160000
Exact Mass
327.033140
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CI
InChI
InChI=1S/C10H18INO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3
InChIKey
BEWMJKMDJPFZAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.43
TPSA
38.77
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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