CAS RN: 1260611-32-2
(S)-tert-Butyl 2-(chloromethyl)morpholine-4-carboxylate
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.20250106 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260611-32-2
- Purity/Analytical Methods: >99.0%
1260611-32-2 / tert-butyl (2S)-2-(chloromethyl)morpholine-4-carboxylate
Basic Information
CAS
1260611-32-2
Multi CAS
No
Molecular Formula
C10H18ClNO3
Molecular Weight
235.710000
Exact Mass
235.097521
SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C1)CCl
InChI
InChI=1S/C10H18ClNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
LKTUWBGNUYXETD-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.27
TPSA
38.77
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
1.4
Consensus LogP
1.63
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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